2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide

C16H23N3O2 — CID 76932669

IUPAC2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C16H23N3O2/c1-19(15(20)10-12-6-3-2-4-7-12)14-9-5-8-13(11-14)16(17)18-21/h5,8-9,11-12,21H,2-4,6-7,10H2,1H3,(H2,17,18)
InChIKeySGAOWLILZYPOLS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide

2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide (PubChem CID 76932669) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
PubChem CID76932669
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C16H23N3O2/c1-19(15(20)10-12-6-3-2-4-7-12)14-9-5-8-13(11-14)16(17)18-21/h5,8-9,11-12,21H,2-4,6-7,10H2,1H3,(H2,17,18)
InChIKeySGAOWLILZYPOLS-UHFFFAOYSA-N
XLogP2.71
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
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 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide 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

N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103557935
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyloxolane-2-carboxamide
CID 76979502
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide (CID 76932669) is 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide is CN(C(=O)CC1CCCCC1)c1cccc(C(N)=NO)c1.
What is the InChIKey of 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide?
The InChIKey is SGAOWLILZYPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(15(20)10-12-6-3-2-4-7-12)14-9-5-8-13(11-14)16(17)18-21/h5,8-9,11-12,21H,2-4,6-7,10H2,1H3,(H2,17,18).
What are the key properties of 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide?
2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 76932669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).