N-[5-(2-aminoanilino)-5-oxopentyl]benzamide

C18H21N3O2 — CID 155547009

IUPACN-[5-(2-aminoanilino)-5-oxopentyl]benzamide
SMILESNc1ccccc1NC(=O)CCCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15-10-4-5-11-16(15)21-17(22)12-6-7-13-20-18(23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13,19H2,(H,20,23)(H,21,22)
InChIKeyPSDULCGBSAPYKD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.81
Rot. Bonds7

About N-[5-(2-aminoanilino)-5-oxopentyl]benzamide

N-[5-(2-aminoanilino)-5-oxopentyl]benzamide (PubChem CID 155547009) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-(2-aminoanilino)-5-oxopentyl]benzamide.

Molecular Properties

Compound NameN-[5-(2-aminoanilino)-5-oxopentyl]benzamide
PubChem CID155547009
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[5-(2-aminoanilino)-5-oxopentyl]benzamide
SMILESNc1ccccc1NC(=O)CCCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15-10-4-5-11-16(15)21-17(22)12-6-7-13-20-18(23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13,19H2,(H,20,23)(H,21,22)
InChIKeyPSDULCGBSAPYKD-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-aminoanilino)-6-oxohexyl]-4-ethynylbenzamide
CID 137464662
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-[6-(2-aminoanilino)-6-oxohexyl]-1H-pyrrole-2-carboxamide
CID 45137576
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
CID 67218587
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-(2-aminophenyl)octadecanamide
CID 68839220
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
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CID 46809375

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]benzamide?
The IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]benzamide (CID 155547009) is N-[5-(2-aminoanilino)-5-oxopentyl]benzamide.
What is the SMILES notation for N-[5-(2-aminoanilino)-5-oxopentyl]benzamide?
The canonical SMILES for N-[5-(2-aminoanilino)-5-oxopentyl]benzamide is Nc1ccccc1NC(=O)CCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[5-(2-aminoanilino)-5-oxopentyl]benzamide?
The InChIKey is PSDULCGBSAPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15-10-4-5-11-16(15)21-17(22)12-6-7-13-20-18(23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13,19H2,(H,20,23)(H,21,22).
What are the key properties of N-[5-(2-aminoanilino)-5-oxopentyl]benzamide?
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoanilino)-5-oxopentyl]benzamide is sourced from PubChem (CID 155547009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).