N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

C14H27NO2 — CID 104920580

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C14H27NO2/c1-12(2)9-7-8-10(12)11(16)15-13(3,4)14(5,6)17/h10,17H,7-9H2,1-6H3,(H,15,16)
InChIKeyYTGCHHBHSINKMJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds3

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

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104920580) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104920580
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C14H27NO2/c1-12(2)9-7-8-10(12)11(16)15-13(3,4)14(5,6)17/h10,17H,7-9H2,1-6H3,(H,15,16)
InChIKeyYTGCHHBHSINKMJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104920580) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is YTGCHHBHSINKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)9-7-8-10(12)11(16)15-13(3,4)14(5,6)17/h10,17H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104920580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).