N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide

C14H25NO2 — CID 114146551

IUPACN-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CCC(O)CC2)CCCC1
InChIInChI=1S/C14H25NO2/c1-14(8-2-3-9-14)13(17)15-10-11-4-6-12(16)7-5-11/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyZPRDAECQWIIZSG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 114146551) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID114146551
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CCC(O)CC2)CCCC1
InChIInChI=1S/C14H25NO2/c1-14(8-2-3-9-14)13(17)15-10-11-4-6-12(16)7-5-11/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyZPRDAECQWIIZSG-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 106135620
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 171672707
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 131913752
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
CID 134557431
1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106826694

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide (CID 114146551) is N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC2CCC(O)CC2)CCCC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is ZPRDAECQWIIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(8-2-3-9-14)13(17)15-10-11-4-6-12(16)7-5-11/h11-12,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114146551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).