4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide

C16H23N3O2 — CID 76912108

IUPAC4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H23N3O2/c1-11-5-3-4-6-14(11)19(2)16(20)13-9-7-12(8-10-13)15(17)18-21/h7-11,14,21H,3-6H2,1-2H3,(H2,17,18)
InChIKeyCCBOBIDCNIOZEX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.43
Rot. Bonds3

About 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide

4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide (PubChem CID 76912108) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
PubChem CID76912108
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H23N3O2/c1-11-5-3-4-6-14(11)19(2)16(20)13-9-7-12(8-10-13)15(17)18-21/h7-11,14,21H,3-6H2,1-2H3,(H2,17,18)
InChIKeyCCBOBIDCNIOZEX-UHFFFAOYSA-N
XLogP2.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.43
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'}

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Related Compounds

4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 62680515
N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134020401
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide (CID 76912108) is 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1N(C)C(=O)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The InChIKey is CCBOBIDCNIOZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-3-4-6-14(11)19(2)16(20)13-9-7-12(8-10-13)15(17)18-21/h7-11,14,21H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide?
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 76912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).