(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide

C8H15NO2 — CID 163561617

IUPAC(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
SMILESCCN(C)C(=O)CC(C)C=O
InChIInChI=1S/C8H15NO2/c1-4-9(3)8(11)5-7(2)6-10/h6-7H,4-5H2,1-3H3
InChIKeyFRRLPWNFBYPLMH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds4

About (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide

(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide (PubChem CID 163561617) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
PubChem CID163561617
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
SMILESCCN(C)C(=O)CC(C)C=O
InChIInChI=1S/C8H15NO2/c1-4-9(3)8(11)5-7(2)6-10/h6-7H,4-5H2,1-3H3
InChIKeyFRRLPWNFBYPLMH-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide?
The IUPAC name of (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide (CID 163561617) is (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide.
What is the SMILES notation for (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide?
The canonical SMILES for (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide is CCN(C)C(=O)CC(C)C=O.
What is the InChIKey of (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide?
The InChIKey is FRRLPWNFBYPLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9(3)8(11)5-7(2)6-10/h6-7H,4-5H2,1-3H3.
What are the key properties of (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide?
(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide is sourced from PubChem (CID 163561617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).