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

C7H13NO3 — CID 15211329

IUPACN-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CCO
InChIInChI=1S/C7H13NO3/c1-6(10)5-7(11)8(2)3-4-9/h9H,3-5H2,1-2H3
InChIKeyQFANTGKUBVBXCJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.58
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide (PubChem CID 15211329) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
PubChem CID15211329
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CCO
InChIInChI=1S/C7H13NO3/c1-6(10)5-7(11)8(2)3-4-9/h9H,3-5H2,1-2H3
InChIKeyQFANTGKUBVBXCJ-UHFFFAOYSA-N
XLogP-0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.58
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-butyl-N-methyl-3-oxobutanamide
CID 60934379
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
N-[2-(4-ethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176585
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-(2-hydroxyethyl)-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 90253117
2-[2-hydroxyethyl(methyl)amino]-2-oxoethanesulfinate
CID 174647403
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide (CID 15211329) is N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide is CC(=O)CC(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide?
The InChIKey is QFANTGKUBVBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(10)5-7(11)8(2)3-4-9/h9H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide?
N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide has a molecular weight of 159.19 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide is sourced from PubChem (CID 15211329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).