N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide

C12H21NO2 — CID 65119591

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
SMILESCC1CCC(O)(CNC(=O)C2CC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(15,7-5-9)8-13-11(14)10-2-3-10/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyAPZNCEIWUIBIFN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.45
Rot. Bonds3

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

N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide (PubChem CID 65119591) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
PubChem CID65119591
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
SMILESCC1CCC(O)(CNC(=O)C2CC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(15,7-5-9)8-13-11(14)10-2-3-10/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyAPZNCEIWUIBIFN-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
2-[(1-hydroxy-4-methylcyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 65116832
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 79348734
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 65120164
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide (CID 65119591) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide is CC1CCC(O)(CNC(=O)C2CC2)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide?
The InChIKey is APZNCEIWUIBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-4-6-12(15,7-5-9)8-13-11(14)10-2-3-10/h9-10,15H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.45, 3 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]cyclopropanecarboxamide is sourced from PubChem (CID 65119591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).