N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C16H31NO2 — CID 103825192

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(C)(C)CCO)CCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)11-16(7-5-6-8-16)14(19)17-12-15(3,4)9-10-18/h13,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyLOEGUVOGULEVCR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 103825192) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID103825192
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(C)(C)CCO)CCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)11-16(7-5-6-8-16)14(19)17-12-15(3,4)9-10-18/h13,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyLOEGUVOGULEVCR-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106254606
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113272943
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
CID 103152651
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 103825192) is N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCC(C)(C)CCO)CCCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is LOEGUVOGULEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)11-16(7-5-6-8-16)14(19)17-12-15(3,4)9-10-18/h13,18H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).