3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

C21H25N3O3 — CID 108541864

IUPAC3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-8-17(9-7-15)10-11-20(26)22-12-13-23-21(27)18-4-3-5-19(14-18)24-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUXRMCVCGVQXEMV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds8

About 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 108541864) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
PubChem CID108541864
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-8-17(9-7-15)10-11-20(26)22-12-13-23-21(27)18-4-3-5-19(14-18)24-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUXRMCVCGVQXEMV-UHFFFAOYSA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
[3-[2-[3-(4-methylphenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108537502
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (CID 108541864) is 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCNC(=O)CCc2ccc(C)cc2)c1.
What is the InChIKey of 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is UXRMCVCGVQXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-8-17(9-7-15)10-11-20(26)22-12-13-23-21(27)18-4-3-5-19(14-18)24-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108541864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).