CCOC(=O)CN1C(=CC2=C(C=CC=C21)NC(=O)C)C
CAS: 802905-01-7
Name: ethyl 2-(4-acetamido-2-methylindol-1-yl)acetate
SMILES: CCOC(=O)CN1C(=CC2=C(C=CC=C21)NC(=O)C)C

Molecular Processing

Molecular formula
C15H18N2O3
Molecular weight
274.32
Exact mass
274.1317
XLogP
2.47
TPSA
60.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
77.61

Supplementary Information

InChIKey: VYDINPVJZJGDHQ-UHFFFAOYSA-N
Synonyme
Ethyl 2-(4-acetamido-2-methyl-1H-indol-1-yl)acetate802905-01-7SCHEMBL1757820VYDINPVJZJGDHQ-UHFFFAOYSA-NDB-319317ethyl(4-acetylamino-2-methyl-1H-indol-1-yl)acetate(4-acetylamino-2-methyl-indol-1-yl)-acetic acid ethyl ester4-(acetylamino)-2-methyl-1H-indole-1-acetic acid, ethyl ester(4-acetylamino-2-methyl-1H-indol-1-yl)-acetic acid, ethyl ester
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