N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide

C12H23NO3 — CID 20681292

IUPACN-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide
SMILESCCOC(C(C)=O)C(C)C(=O)NC(C)CC
InChIInChI=1S/C12H23NO3/c1-6-8(3)13-12(15)9(4)11(10(5)14)16-7-2/h8-9,11H,6-7H2,1-5H3,(H,13,15)
InChIKeyNXJHKTSQEQNJJC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.53
Rot. Bonds7

About N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide

N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide (PubChem CID 20681292) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide
PubChem CID20681292
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide
SMILESCCOC(C(C)=O)C(C)C(=O)NC(C)CC
InChIInChI=1S/C12H23NO3/c1-6-8(3)13-12(15)9(4)11(10(5)14)16-7-2/h8-9,11H,6-7H2,1-5H3,(H,13,15)
InChIKeyNXJHKTSQEQNJJC-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide?
The IUPAC name of N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide (CID 20681292) is N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide.
What is the SMILES notation for N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide?
The canonical SMILES for N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide is CCOC(C(C)=O)C(C)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide?
The InChIKey is NXJHKTSQEQNJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-8(3)13-12(15)9(4)11(10(5)14)16-7-2/h8-9,11H,6-7H2,1-5H3,(H,13,15).
What are the key properties of N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide?
N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide is sourced from PubChem (CID 20681292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).