N-(2-aminophenyl)-7-oxoheptanamide

C13H18N2O2 — CID 143955349

IUPACN-(2-aminophenyl)-7-oxoheptanamide
SMILESNc1ccccc1NC(=O)CCCCCC=O
InChIInChI=1S/C13H18N2O2/c14-11-7-4-5-8-12(11)15-13(17)9-3-1-2-6-10-16/h4-5,7-8,10H,1-3,6,9,14H2,(H,15,17)
InChIKeyBBLQFFSFRQRJEI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.36
Rot. Bonds7

About N-(2-aminophenyl)-7-oxoheptanamide

N-(2-aminophenyl)-7-oxoheptanamide (PubChem CID 143955349) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-oxoheptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-oxoheptanamide
PubChem CID143955349
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminophenyl)-7-oxoheptanamide
SMILESNc1ccccc1NC(=O)CCCCCC=O
InChIInChI=1S/C13H18N2O2/c14-11-7-4-5-8-12(11)15-13(17)9-3-1-2-6-10-16/h4-5,7-8,10H,1-3,6,9,14H2,(H,15,17)
InChIKeyBBLQFFSFRQRJEI-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
8-oxo-N-phenyloctanamide
CID 15739209
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
6-oxo-N-phenylhexanamide
CID 19422082
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-oxoheptanamide?
The IUPAC name of N-(2-aminophenyl)-7-oxoheptanamide (CID 143955349) is N-(2-aminophenyl)-7-oxoheptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-oxoheptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-oxoheptanamide is Nc1ccccc1NC(=O)CCCCCC=O.
What is the InChIKey of N-(2-aminophenyl)-7-oxoheptanamide?
The InChIKey is BBLQFFSFRQRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-7-4-5-8-12(11)15-13(17)9-3-1-2-6-10-16/h4-5,7-8,10H,1-3,6,9,14H2,(H,15,17).
What are the key properties of N-(2-aminophenyl)-7-oxoheptanamide?
N-(2-aminophenyl)-7-oxoheptanamide has a molecular weight of 234.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-oxoheptanamide is sourced from PubChem (CID 143955349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).