CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)O)c1
Name: 3-methyl-5-[4-phenylmethoxybutyl(propyl)carbamoyl]benzoic acid
SMILES: CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)O)c1

Molecular Processing

Molecular formula
C23H29NO4
Molecular weight
383.49
Exact mass
383.2097
XLogP
4.54
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
28
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
0.391
Molar refractivity
109.66

Supplementary Information

InChIKey: GYANEPGJWZUALE-UHFFFAOYSA-N
Synonyme
3-{[[4-(benzyloxy)butyl](propyl)-amino]carbonyl)-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)-amino]carbonyl}-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl)-5-methylbenzoic acid3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl}-5-methylbenzoic acidGYANEPGJWZUALE-UHFFFAOYSA-N
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