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

C11H19NO3 — CID 60952245

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-9(14)8-11(15)12(6-7-13)10-4-2-3-5-10/h10,13H,2-8H2,1H3
InChIKeyJUANVWHGXKGZMD-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.73
Rot. Bonds5

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

N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide (PubChem CID 60952245) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
PubChem CID60952245
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-9(14)8-11(15)12(6-7-13)10-4-2-3-5-10/h10,13H,2-8H2,1H3
InChIKeyJUANVWHGXKGZMD-UHFFFAOYSA-N
XLogP0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79287573
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
2-[acetyl(methyl)amino]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684108
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide (CID 60952245) is N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide is CC(=O)CC(=O)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide?
The InChIKey is JUANVWHGXKGZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(14)8-11(15)12(6-7-13)10-4-2-3-5-10/h10,13H,2-8H2,1H3.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide?
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide has a molecular weight of 213.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide is sourced from PubChem (CID 60952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).