4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide

C18H33NO2 — CID 115760153

IUPAC4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)15-9-7-14(8-10-15)16(20)19(4)13-18(21)11-5-6-12-18/h14-15,21H,5-13H2,1-4H3
InChIKeyAZGLVDXTRQIHGD-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.60
Rot. Bonds3

About 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide

4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 115760153) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID115760153
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)15-9-7-14(8-10-15)16(20)19(4)13-18(21)11-5-6-12-18/h14-15,21H,5-13H2,1-4H3
InChIKeyAZGLVDXTRQIHGD-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpiperidine-3-carboxamide
CID 114949603
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903
N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide
CID 62717748
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
CID 129344853
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332
N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 115760056
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 115760153) is 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(CC1(O)CCCC1)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is AZGLVDXTRQIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2,3)15-9-7-14(8-10-15)16(20)19(4)13-18(21)11-5-6-12-18/h14-15,21H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115760153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).