4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide

C18H33NO2 — CID 65120285

IUPAC4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(O)(CNC(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C18H33NO2/c1-15-10-12-18(21,13-11-15)14-19-17(20)9-5-8-16-6-3-2-4-7-16/h15-16,21H,2-14H2,1H3,(H,19,20)
InChIKeyYXEQPIGNZXBLGN-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.79
Rot. Bonds6

About 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide

4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide (PubChem CID 65120285) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
PubChem CID65120285
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(O)(CNC(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C18H33NO2/c1-15-10-12-18(21,13-11-15)14-19-17(20)9-5-8-16-6-3-2-4-7-16/h15-16,21H,2-14H2,1H3,(H,19,20)
InChIKeyYXEQPIGNZXBLGN-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
CID 65120066
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120119
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65119498
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide (CID 65120285) is 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide is CC1CCC(O)(CNC(=O)CCCC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide?
The InChIKey is YXEQPIGNZXBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-15-10-12-18(21,13-11-15)14-19-17(20)9-5-8-16-6-3-2-4-7-16/h15-16,21H,2-14H2,1H3,(H,19,20).
What are the key properties of 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide?
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide has a molecular weight of 295.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 65120285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).