4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide

C18H18N2O3 — CID 67712801

IUPAC4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(/C=C/CO)c2)cc1
InChIInChI=1S/C18H18N2O3/c1-13(22)19-16-9-7-15(8-10-16)18(23)20-17-6-2-4-14(12-17)5-3-11-21/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/b5-3+
InChIKeyAYPJSEYRDRNRNJ-HWKANZROSA-N
MW310.35 g/mol
LogP2.90
Rot. Bonds5

About 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide

4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide (PubChem CID 67712801) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
PubChem CID67712801
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(/C=C/CO)c2)cc1
InChIInChI=1S/C18H18N2O3/c1-13(22)19-16-9-7-15(8-10-16)18(23)20-17-6-2-4-14(12-17)5-3-11-21/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/b5-3+
InChIKeyAYPJSEYRDRNRNJ-HWKANZROSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
CID 67712602
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
CID 67712663
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide (CID 67712801) is 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(/C=C/CO)c2)cc1.
What is the InChIKey of 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The InChIKey is AYPJSEYRDRNRNJ-HWKANZROSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(22)19-16-9-7-15(8-10-16)18(23)20-17-6-2-4-14(12-17)5-3-11-21/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/b5-3+.
What are the key properties of 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide is sourced from PubChem (CID 67712801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).