1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide

C14H19N3O2 — CID 76919909

IUPAC1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C14H19N3O2/c15-12(17-19)14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H2,15,17)(H,16,18)
InChIKeyFUPAVAZUHIOBDH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds3

About 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide (PubChem CID 76919909) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
PubChem CID76919909
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C14H19N3O2/c15-12(17-19)14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H2,15,17)(H,16,18)
InChIKeyFUPAVAZUHIOBDH-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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'}

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Related Compounds

1-[(E)-N'-hydroxycarbamimidoyl]-N-phenylcyclobutane-1-carboxamide
CID 80590428
N-(4-chlorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920148
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 76919403
1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcyclohexane-1-carboxamide
CID 107589510
1-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylcycloheptane-1-carboxamide
CID 107589495
N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591517
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
N-benzyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920758
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 80591266
N-(4-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590693
1-[(E)-N'-hydroxycarbamimidoyl]-N-(2-iodophenyl)cyclobutane-1-carboxamide
CID 80590427
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide (CID 76919909) is 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide is NC(=NO)C1(C(=O)Nc2ccccc2)CCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is FUPAVAZUHIOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12(17-19)14(9-5-2-6-10-14)13(18)16-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H2,15,17)(H,16,18).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 76919909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).