3-{[[4-(Benzyloxy)butyl](propyl)amino]carbonyl)-5-methylbenzoic acid

HCID 21085686

Basic information

Standard SMILES
CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)O)c1
InChIKey
GYANEPGJWZUALE-UHFFFAOYSA-N
Molecular formula
C23H29NO4
Average molar mass
383.5 g/mol

Names & identifiers

Preferred name
3-{[[4-(Benzyloxy)butyl](propyl)amino]carbonyl)-5-methylbenzoic acid
IUPAC
3-methyl-5-[4-phenylmethoxybutyl(propyl)carbamoyl]benzoic acid

Names & synonyms

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

Database identifiers

PubChem CID
21085686

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
28

Related reactions

11 records

Compound notes

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