4-[2-(3-acetylanilino)propanoylamino]benzamide

C18H19N3O3 — CID 46667199

IUPAC4-[2-(3-acetylanilino)propanoylamino]benzamide
SMILESCC(=O)c1cccc(NC(C)C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-11(20-16-5-3-4-14(10-16)12(2)22)18(24)21-15-8-6-13(7-9-15)17(19)23/h3-11,20H,1-2H3,(H2,19,23)(H,21,24)
InChIKeyHONIANLPFACGFR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.43
Rot. Bonds6

About 4-[2-(3-acetylanilino)propanoylamino]benzamide

4-[2-(3-acetylanilino)propanoylamino]benzamide (PubChem CID 46667199) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-(3-acetylanilino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(3-acetylanilino)propanoylamino]benzamide
PubChem CID46667199
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[2-(3-acetylanilino)propanoylamino]benzamide
SMILESCC(=O)c1cccc(NC(C)C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-11(20-16-5-3-4-14(10-16)12(2)22)18(24)21-15-8-6-13(7-9-15)17(19)23/h3-11,20H,1-2H3,(H2,19,23)(H,21,24)
InChIKeyHONIANLPFACGFR-UHFFFAOYSA-N
XLogP2.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(4-propylanilino)propanamide
CID 112768823
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43018790
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
CID 86791882
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
3-(2-aminopropanoylamino)benzamide
CID 61258270

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-acetylanilino)propanoylamino]benzamide?
The IUPAC name of 4-[2-(3-acetylanilino)propanoylamino]benzamide (CID 46667199) is 4-[2-(3-acetylanilino)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(3-acetylanilino)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(3-acetylanilino)propanoylamino]benzamide is CC(=O)c1cccc(NC(C)C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[2-(3-acetylanilino)propanoylamino]benzamide?
The InChIKey is HONIANLPFACGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(20-16-5-3-4-14(10-16)12(2)22)18(24)21-15-8-6-13(7-9-15)17(19)23/h3-11,20H,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of 4-[2-(3-acetylanilino)propanoylamino]benzamide?
4-[2-(3-acetylanilino)propanoylamino]benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-acetylanilino)propanoylamino]benzamide is sourced from PubChem (CID 46667199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).