N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

C13H25NO2 — CID 104920362

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CO)C(C)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-9(8-15)10(2)14-12(16)11-6-5-7-13(11,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyPHPVNKIXNDAVCJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104920362) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104920362
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CO)C(C)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-9(8-15)10(2)14-12(16)11-6-5-7-13(11,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyPHPVNKIXNDAVCJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104920362) is N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is CC(CO)C(C)NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is PHPVNKIXNDAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(8-15)10(2)14-12(16)11-6-5-7-13(11,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104920362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).