3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

C17H24ClNO2 — CID 65124351

IUPAC3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C17H24ClNO2/c1-13-5-4-10-17(21,11-13)12-19-16(20)9-8-14-6-2-3-7-15(14)18/h2-3,6-7,13,21H,4-5,8-12H2,1H3,(H,19,20)
InChIKeyVLBWJWVTDFCBQN-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.33
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (PubChem CID 65124351) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
PubChem CID65124351
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C17H24ClNO2/c1-13-5-4-10-17(21,11-13)12-19-16(20)9-8-14-6-2-3-7-15(14)18/h2-3,6-7,13,21H,4-5,8-12H2,1H3,(H,19,20)
InChIKeyVLBWJWVTDFCBQN-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 65123865
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123959
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124105
2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124161
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (CID 65124351) is 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is CC1CCCC(O)(CNC(=O)CCc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The InChIKey is VLBWJWVTDFCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-13-5-4-10-17(21,11-13)12-19-16(20)9-8-14-6-2-3-7-15(14)18/h2-3,6-7,13,21H,4-5,8-12H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65124351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).