N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H23NO2 — CID 103838537

IUPACN-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CC1(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)5-9(14)7-13-11(15)10-6-12(10,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyAHZIMEUBBHDBMU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.56
Rot. Bonds5

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

N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103838537) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103838537
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CC1(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)5-9(14)7-13-11(15)10-6-12(10,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyAHZIMEUBBHDBMU-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536
N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 106287186
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911
N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 113258709

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103838537) is N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide is CC(C)CC(O)CNC(=O)C1CC1(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is AHZIMEUBBHDBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)5-9(14)7-13-11(15)10-6-12(10,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103838537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).