N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide

C16H23N3O2 — CID 77054227

IUPACN-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2cccc(C(N)=NO)c2)C1
InChIInChI=1S/C16H23N3O2/c1-10-6-11(2)8-14(7-10)18-16(20)13-5-3-4-12(9-13)15(17)19-21/h3-5,9-11,14,21H,6-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyQWIXSMJDGPJOSQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide

N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide (PubChem CID 77054227) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
PubChem CID77054227
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2cccc(C(N)=NO)c2)C1
InChIInChI=1S/C16H23N3O2/c1-10-6-11(2)8-14(7-10)18-16(20)13-5-3-4-12(9-13)15(17)19-21/h3-5,9-11,14,21H,6-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyQWIXSMJDGPJOSQ-UHFFFAOYSA-N
XLogP2.34
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
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

3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606
3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332
3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197351
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
N-(2,6-dimethylpiperidin-1-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018949
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156107
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide (CID 77054227) is N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide is CC1CC(C)CC(NC(=O)c2cccc(C(N)=NO)c2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide?
The InChIKey is QWIXSMJDGPJOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-11(2)8-14(7-10)18-16(20)13-5-3-4-12(9-13)15(17)19-21/h3-5,9-11,14,21H,6-8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide?
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide is sourced from PubChem (CID 77054227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).