N-cycloheptyl-N'-(4-methylphenyl)oxamide

C16H22N2O2 — CID 2287607

IUPACN-cycloheptyl-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-8-10-14(11-9-12)18-16(20)15(19)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyKPIHFYAKGMKFGI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds2

About N-cycloheptyl-N'-(4-methylphenyl)oxamide

N-cycloheptyl-N'-(4-methylphenyl)oxamide (PubChem CID 2287607) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-methylphenyl)oxamide
PubChem CID2287607
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cycloheptyl-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-8-10-14(11-9-12)18-16(20)15(19)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyKPIHFYAKGMKFGI-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
2-cyano-N-cyclohexyl-3-(4-methylanilino)but-2-enamide
CID 5210123
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(4-methylphenyl)oxamide (CID 2287607) is N-cycloheptyl-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-(4-methylphenyl)oxamide?
The InChIKey is KPIHFYAKGMKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-8-10-14(11-9-12)18-16(20)15(19)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cycloheptyl-N'-(4-methylphenyl)oxamide?
N-cycloheptyl-N'-(4-methylphenyl)oxamide has a molecular weight of 274.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2287607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).