N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide

C16H31NO2 — CID 65119708

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC1CCC(O)(CNC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-12-6-8-16(19,9-7-12)11-17-14(18)10-13(2)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,17,18)
InChIKeyQJLLGESJLMYGEL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide (PubChem CID 65119708) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
PubChem CID65119708
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC1CCC(O)(CNC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-12-6-8-16(19,9-7-12)11-17-14(18)10-13(2)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,17,18)
InChIKeyQJLLGESJLMYGEL-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
CID 55260135
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,4,4-trimethylpentanamide
CID 115456181
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
2,2-diethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-oxobutanoic acid
CID 65116591
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide (CID 65119708) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide is CC1CCC(O)(CNC(=O)CC(C)C(C)(C)C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The InChIKey is QJLLGESJLMYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12-6-8-16(19,9-7-12)11-17-14(18)10-13(2)15(3,4)5/h12-13,19H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide has a molecular weight of 269.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 65119708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).