4-(4-benzamidobutanoylamino)benzamide

C18H19N3O3 — CID 29374160

IUPAC4-(4-benzamidobutanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c19-17(23)13-8-10-15(11-9-13)21-16(22)7-4-12-20-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyQYUZUCJSIGFDOS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds7

About 4-(4-benzamidobutanoylamino)benzamide

4-(4-benzamidobutanoylamino)benzamide (PubChem CID 29374160) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(4-benzamidobutanoylamino)benzamide.

Molecular Properties

Compound Name4-(4-benzamidobutanoylamino)benzamide
PubChem CID29374160
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(4-benzamidobutanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c19-17(23)13-8-10-15(11-9-13)21-16(22)7-4-12-20-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyQYUZUCJSIGFDOS-UHFFFAOYSA-N
XLogP1.93
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
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-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzamidobutanoylamino)benzamide?
The IUPAC name of 4-(4-benzamidobutanoylamino)benzamide (CID 29374160) is 4-(4-benzamidobutanoylamino)benzamide.
What is the SMILES notation for 4-(4-benzamidobutanoylamino)benzamide?
The canonical SMILES for 4-(4-benzamidobutanoylamino)benzamide is NC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(4-benzamidobutanoylamino)benzamide?
The InChIKey is QYUZUCJSIGFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-17(23)13-8-10-15(11-9-13)21-16(22)7-4-12-20-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of 4-(4-benzamidobutanoylamino)benzamide?
4-(4-benzamidobutanoylamino)benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzamidobutanoylamino)benzamide is sourced from PubChem (CID 29374160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).