N-(2-aminophenyl)-7-oxo-7-phenylheptanamide

C19H22N2O2 — CID 155558642

IUPACN-(2-aminophenyl)-7-oxo-7-phenylheptanamide
SMILESNc1ccccc1NC(=O)CCCCCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-16-11-7-8-12-17(16)21-19(23)14-6-2-5-13-18(22)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)
InChIKeyBJJLNKFIXGFREV-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.04
Rot. Bonds8

About N-(2-aminophenyl)-7-oxo-7-phenylheptanamide

N-(2-aminophenyl)-7-oxo-7-phenylheptanamide (PubChem CID 155558642) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-oxo-7-phenylheptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-oxo-7-phenylheptanamide
PubChem CID155558642
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2-aminophenyl)-7-oxo-7-phenylheptanamide
SMILESNc1ccccc1NC(=O)CCCCCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-16-11-7-8-12-17(16)21-19(23)14-6-2-5-13-18(22)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)
InChIKeyBJJLNKFIXGFREV-UHFFFAOYSA-N
XLogP4.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
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

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CID 68839220
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CID 159516285
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
CID 58982108
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
CID 58982124
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
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N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-oxo-7-phenylheptanamide?
The IUPAC name of N-(2-aminophenyl)-7-oxo-7-phenylheptanamide (CID 155558642) is N-(2-aminophenyl)-7-oxo-7-phenylheptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-oxo-7-phenylheptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-oxo-7-phenylheptanamide is Nc1ccccc1NC(=O)CCCCCC(=O)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-7-oxo-7-phenylheptanamide?
The InChIKey is BJJLNKFIXGFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-16-11-7-8-12-17(16)21-19(23)14-6-2-5-13-18(22)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23).
What are the key properties of N-(2-aminophenyl)-7-oxo-7-phenylheptanamide?
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide has a molecular weight of 310.40 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-oxo-7-phenylheptanamide is sourced from PubChem (CID 155558642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).