N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C16H23N3O2 — CID 60916634

IUPACN-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1ccc(C(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15(19-21)13-6-8-14(9-7-13)16(20)18-11-10-12-4-2-1-3-5-12/h6-9,12,21H,1-5,10-11H2,(H2,17,19)(H,18,20)
InChIKeyPTNVWHAVZHTGIQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds5

About N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 60916634) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID60916634
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N\O)c1ccc(C(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15(19-21)13-6-8-14(9-7-13)16(20)18-11-10-12-4-2-1-3-5-12/h6-9,12,21H,1-5,10-11H2,(H2,17,19)(H,18,20)
InChIKeyPTNVWHAVZHTGIQ-UHFFFAOYSA-N
XLogP2.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
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

N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 60916634) is N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is N/C(=N\O)c1ccc(C(=O)NCCC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is PTNVWHAVZHTGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(19-21)13-6-8-14(9-7-13)16(20)18-11-10-12-4-2-1-3-5-12/h6-9,12,21H,1-5,10-11H2,(H2,17,19)(H,18,20).
What are the key properties of N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 60916634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).