2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide

C16H23N3O2 — CID 76935492

IUPAC2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)CC1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11-7-8-13(16(17)19-21)10-14(11)18-15(20)9-12-5-3-2-4-6-12/h7-8,10,12,21H,2-6,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCGALITIQHHKVEX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide

2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide (PubChem CID 76935492) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide
PubChem CID76935492
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)CC1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11-7-8-13(16(17)19-21)10-14(11)18-15(20)9-12-5-3-2-4-6-12/h7-8,10,12,21H,2-6,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCGALITIQHHKVEX-UHFFFAOYSA-N
XLogP3.00
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.00
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-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
CID 103166180
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclopropylacetamide
CID 107790328
3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
CID 172665679
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81326859
4-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935592
4-methyl-3-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83144754
1,1-diethyl-3-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]urea
CID 79162284
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76935561
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide (CID 76935492) is 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide is Cc1ccc(C(N)=NO)cc1NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide?
The InChIKey is CGALITIQHHKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-7-8-13(16(17)19-21)10-14(11)18-15(20)9-12-5-3-2-4-6-12/h7-8,10,12,21H,2-6,9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide?
2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 76935492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).