N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide

C12H23NO2 — CID 111425656

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-12(15)13-8-11(14)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyRMPIUNOPXOHFFP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide (PubChem CID 111425656) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
PubChem CID111425656
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-12(15)13-8-11(14)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyRMPIUNOPXOHFFP-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-(2-cyclopropyl-2-hydroxyethyl)-3-(methylamino)propanamide
CID 63297635
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide (CID 111425656) is N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide is CC(C)CC(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is RMPIUNOPXOHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-12(15)13-8-11(14)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 111425656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).