1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide

C14H18N2O2 — CID 164543902

IUPAC1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
SMILESCNC(=O)C1(C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2/c1-15-12(17)14(9-5-6-10-14)13(18)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyYATSQMMLZXSZGS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.93
Rot. Bonds3

About 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide

1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide (PubChem CID 164543902) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
PubChem CID164543902
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
SMILESCNC(=O)C1(C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2/c1-15-12(17)14(9-5-6-10-14)13(18)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyYATSQMMLZXSZGS-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
CID 76919909
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-[(E)-N'-hydroxycarbamimidoyl]-N-phenylcyclobutane-1-carboxamide
CID 80590428
1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen
CID 143768561
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide
CID 164543941
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 175630260

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide (CID 164543902) is 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide is CNC(=O)C1(C(=O)Nc2ccccc2)CCCC1.
What is the InChIKey of 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide?
The InChIKey is YATSQMMLZXSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-12(17)14(9-5-6-10-14)13(18)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide?
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 164543902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).