2-ethyl-N,N-dimethyl-4-oxopentanamide

C9H17NO2 — CID 71373861

IUPAC2-ethyl-N,N-dimethyl-4-oxopentanamide
SMILESCCC(CC(C)=O)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(6-7(2)11)9(12)10(3)4/h8H,5-6H2,1-4H3
InChIKeyNRCFNBONAYMVPF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About 2-ethyl-N,N-dimethyl-4-oxopentanamide

2-ethyl-N,N-dimethyl-4-oxopentanamide (PubChem CID 71373861) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-4-oxopentanamide.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-4-oxopentanamide
PubChem CID71373861
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethyl-N,N-dimethyl-4-oxopentanamide
SMILESCCC(CC(C)=O)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(6-7(2)11)9(12)10(3)4/h8H,5-6H2,1-4H3
InChIKeyNRCFNBONAYMVPF-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-4-oxopentanamide?
The IUPAC name of 2-ethyl-N,N-dimethyl-4-oxopentanamide (CID 71373861) is 2-ethyl-N,N-dimethyl-4-oxopentanamide.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-4-oxopentanamide?
The canonical SMILES for 2-ethyl-N,N-dimethyl-4-oxopentanamide is CCC(CC(C)=O)C(=O)N(C)C.
What is the InChIKey of 2-ethyl-N,N-dimethyl-4-oxopentanamide?
The InChIKey is NRCFNBONAYMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(6-7(2)11)9(12)10(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N,N-dimethyl-4-oxopentanamide?
2-ethyl-N,N-dimethyl-4-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-4-oxopentanamide is sourced from PubChem (CID 71373861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).