N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide

C17H27N3O — CID 77043636

IUPACN'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
SMILESCC1CCCC(N(C)CC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-15(11-13)20(2)12-16(17(18)19-21)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,21H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyFWWHVQWAPSQWAW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds5

About N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide (PubChem CID 77043636) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
PubChem CID77043636
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
SMILESCC1CCCC(N(C)CC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-15(11-13)20(2)12-16(17(18)19-21)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,21H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyFWWHVQWAPSQWAW-UHFFFAOYSA-N
XLogP3.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.03
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

N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide
CID 77034391
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide (CID 77043636) is N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide is CC1CCCC(N(C)CC(C(N)=NO)c2ccccc2)C1.
What is the InChIKey of N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The InChIKey is FWWHVQWAPSQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-6-10-15(11-13)20(2)12-16(17(18)19-21)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,21H,6-7,10-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).