3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide

C14H19N3O2 — CID 76993606

IUPAC3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C14H19N3O2/c1-9-4-2-7-12(9)16-14(18)11-6-3-5-10(8-11)13(15)17-19/h3,5-6,8-9,12,19H,2,4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXDRNYSPFBPWATQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds3

About 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide

3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide (PubChem CID 76993606) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
PubChem CID76993606
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C14H19N3O2/c1-9-4-2-7-12(9)16-14(18)11-6-3-5-10(8-11)13(15)17-19/h3,5-6,8-9,12,19H,2,4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXDRNYSPFBPWATQ-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018949
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156107
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-(2-hydroxypropan-2-yl)-N-(2-methylcyclohexyl)benzamide
CID 110486141
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332

Frequently Asked Questions

What is the IUPAC name of 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide?
The IUPAC name of 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide (CID 76993606) is 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide?
The canonical SMILES for 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide is CC1CCCC1NC(=O)c1cccc(C(N)=NO)c1.
What is the InChIKey of 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide?
The InChIKey is XDRNYSPFBPWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-4-2-7-12(9)16-14(18)11-6-3-5-10(8-11)13(15)17-19/h3,5-6,8-9,12,19H,2,4,7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide?
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide is sourced from PubChem (CID 76993606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).