3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate

C20H23NO3 — CID 75477339

IUPAC3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23NO3/c1-14-9-10-18(12-15(14)2)20(23)21-19-8-4-6-17(13-19)7-5-11-24-16(3)22/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H,21,23)
InChIKeyKDZAOEKWXHJUOC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.05
Rot. Bonds6

About 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate

3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate (PubChem CID 75477339) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate.

Molecular Properties

Compound Name3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
PubChem CID75477339
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23NO3/c1-14-9-10-18(12-15(14)2)20(23)21-19-8-4-6-17(13-19)7-5-11-24-16(3)22/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H,21,23)
InChIKeyKDZAOEKWXHJUOC-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 107673369
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate
CID 138050274
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
tert-butyl N-[3-[[3-[(3,4-dimethylbenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921378
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
3-phenylpropyl 4-oxo-4-[3-(phenylcarbamoyl)anilino]butanoate
CID 54781205
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
CID 75450680

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate?
The IUPAC name of 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate (CID 75477339) is 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate.
What is the SMILES notation for 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate?
The canonical SMILES for 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate is CC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate?
The InChIKey is KDZAOEKWXHJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-9-10-18(12-15(14)2)20(23)21-19-8-4-6-17(13-19)7-5-11-24-16(3)22/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H,21,23).
What are the key properties of 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate?
3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate has a molecular weight of 325.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate is sourced from PubChem (CID 75477339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).