N'-(4-butylphenyl)-N-cycloheptyloxamide

C19H28N2O2 — CID 108502498

IUPACN'-(4-butylphenyl)-N-cycloheptyloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-3-8-15-11-13-17(14-12-15)21-19(23)18(22)20-16-9-6-4-5-7-10-16/h11-14,16H,2-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRTQRLOPLIOKLHB-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.81
Rot. Bonds5

About N'-(4-butylphenyl)-N-cycloheptyloxamide

N'-(4-butylphenyl)-N-cycloheptyloxamide (PubChem CID 108502498) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-cycloheptyloxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-cycloheptyloxamide
PubChem CID108502498
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN'-(4-butylphenyl)-N-cycloheptyloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-3-8-15-11-13-17(14-12-15)21-19(23)18(22)20-16-9-6-4-5-7-10-16/h11-14,16H,2-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRTQRLOPLIOKLHB-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.81
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

1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
4-butyl-N-cyclopentylbenzamide
CID 60674795
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-cycloheptyloxamide?
The IUPAC name of N'-(4-butylphenyl)-N-cycloheptyloxamide (CID 108502498) is N'-(4-butylphenyl)-N-cycloheptyloxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-cycloheptyloxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-cycloheptyloxamide is CCCCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-cycloheptyloxamide?
The InChIKey is RTQRLOPLIOKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-8-15-11-13-17(14-12-15)21-19(23)18(22)20-16-9-6-4-5-7-10-16/h11-14,16H,2-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-butylphenyl)-N-cycloheptyloxamide?
N'-(4-butylphenyl)-N-cycloheptyloxamide has a molecular weight of 316.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-cycloheptyloxamide is sourced from PubChem (CID 108502498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).