N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide

C15H27NO2 — CID 65121763

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
SMILESCCC1CCC(O)(CNC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-7-9-15(18,10-8-12)11-16-14(17)13-5-3-4-6-13/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyIJHIGEURVVKTJV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide (PubChem CID 65121763) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
PubChem CID65121763
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
SMILESCCC1CCC(O)(CNC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-7-9-15(18,10-8-12)11-16-14(17)13-5-3-4-6-13/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyIJHIGEURVVKTJV-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114826219
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide (CID 65121763) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide is CCC1CCC(O)(CNC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide?
The InChIKey is IJHIGEURVVKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-12-7-9-15(18,10-8-12)11-16-14(17)13-5-3-4-6-13/h12-13,18H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 65121763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).