N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide

C12H23NO2 — CID 104918370

IUPACN-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CO)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H23NO2/c1-9(8-14)7-13-11(15)10-5-4-6-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyVXYCINAOIQAPMA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.56
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104918370) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104918370
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CO)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H23NO2/c1-9(8-14)7-13-11(15)10-5-4-6-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyVXYCINAOIQAPMA-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180415
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
2,2-dimethyl-N-propan-2-yloxycyclopentane-1-carboxamide
CID 131043237

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104918370) is N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide is CC(CO)CNC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is VXYCINAOIQAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(8-14)7-13-11(15)10-5-4-6-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104918370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).