N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H21NO2 — CID 103838536

IUPACN-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CC1(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(13)6-12-10(14)8-5-11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyKAYMCOKLEXFFDH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.17
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103838536) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103838536
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CC1(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(13)6-12-10(14)8-5-11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyKAYMCOKLEXFFDH-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-2,3-dimethyl-2-isopropylbutanamide
CID 22182807
N-(2-hydroxyethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11183050
Xylariamide
CID 102222778
N-(1-hydroxypropan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11217870
N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11218142
N-(2-hydroxypropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424187
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
CID 43501033
N-(3-cyclopropyl-3-hydroxypropyl)pivalamide
CID 71787427
N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
CID 71787566
N-(3-hydroxy-4,4-dimethylpentyl)cyclobutanecarboxamide
CID 71787567
N-(3-hydroxy-4,4-dimethylpentyl)pivalamide
CID 71787568
N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71848427

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103838536) is N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide is CC(C)C(O)CNC(=O)C1CC1(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is KAYMCOKLEXFFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9(13)6-12-10(14)8-5-11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103838536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).