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

C11H21NO2 — CID 103944810

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(CCO)NC(=O)C1CC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)7-8(10)9(14)12-11(3,4)5-6-13/h8,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyXDZTXGYVZRGXAI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds4

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

N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103944810) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103944810
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(CCO)NC(=O)C1CC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)7-8(10)9(14)12-11(3,4)5-6-13/h8,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyXDZTXGYVZRGXAI-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,2,4-Trimethylpentanoylamino)cyclopropyl]acetic acid
CID 57700507
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylpentanamide
CID 89042020
N-[1-(hydroxymethyl)cyclopropyl]-2-methylpentanamide
CID 115764619
N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 115869906
N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 115870048
N,2-ditert-butyl-2-(hydroxymethyl)-3,3-dimethylbutanamide
CID 117812548
N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4-trimethylpentanamide
CID 123276873
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide
CID 134417525
N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide
CID 138474364
N-[1-(hydroxymethyl)cyclopropyl]-2,3,3-trimethylbutanamide
CID 143855685
N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethylpentanamide;propane
CID 144230192

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103944810) is N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide is CC(C)(CCO)NC(=O)C1CC1(C)C.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is XDZTXGYVZRGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)7-8(10)9(14)12-11(3,4)5-6-13/h8,13H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103944810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).