3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide

C21H23N3O4 — CID 4061795

IUPAC3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)C(=O)c2ccccc2NC(C)=O)c1
InChIInChI=1S/C21H23N3O4/c1-3-4-12-22-20(27)15-8-7-9-16(13-15)24-21(28)19(26)17-10-5-6-11-18(17)23-14(2)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,25)(H,24,28)
InChIKeyVSVMLPQVOKWKNH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.00
Rot. Bonds8

About 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide

3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide (PubChem CID 4061795) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
PubChem CID4061795
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)C(=O)c2ccccc2NC(C)=O)c1
InChIInChI=1S/C21H23N3O4/c1-3-4-12-22-20(27)15-8-7-9-16(13-15)24-21(28)19(26)17-10-5-6-11-18(17)23-14(2)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,25)(H,24,28)
InChIKeyVSVMLPQVOKWKNH-UHFFFAOYSA-N
XLogP3.00
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide
CID 2231579
methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate
CID 102334177
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-chlorobenzamide
CID 17197199
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
CID 21232282
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
CID 17197044

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide?
The IUPAC name of 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide (CID 4061795) is 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide?
The canonical SMILES for 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1cccc(NC(=O)C(=O)c2ccccc2NC(C)=O)c1.
What is the InChIKey of 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide?
The InChIKey is VSVMLPQVOKWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-4-12-22-20(27)15-8-7-9-16(13-15)24-21(28)19(26)17-10-5-6-11-18(17)23-14(2)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)(H,23,25)(H,24,28).
What are the key properties of 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide?
3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide has a molecular weight of 381.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 4061795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).