2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide

C17H24ClNO2 — CID 43388740

IUPAC2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-11(2)16(12-3-5-13(18)6-4-12)17(21)19-14-7-9-15(20)10-8-14/h3-6,11,14-16,20H,7-10H2,1-2H3,(H,19,21)
InChIKeyWUQCEVLWNGGVTG-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide

2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide (PubChem CID 43388740) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
PubChem CID43388740
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-11(2)16(12-3-5-13(18)6-4-12)17(21)19-14-7-9-15(20)10-8-14/h3-6,11,14-16,20H,7-10H2,1-2H3,(H,19,21)
InChIKeyWUQCEVLWNGGVTG-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
3-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]butan-2-one
CID 70309544

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide (CID 43388740) is 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide is CC(C)C(C(=O)NC1CCC(O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide?
The InChIKey is WUQCEVLWNGGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11(2)16(12-3-5-13(18)6-4-12)17(21)19-14-7-9-15(20)10-8-14/h3-6,11,14-16,20H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide has a molecular weight of 309.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 43388740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).