N-acetyl-3-methyl-4-oxobutanamide;ethane;propane

C16H37NO3 — CID 143333813

IUPACN-acetyl-3-methyl-4-oxobutanamide;ethane;propane
SMILESCC.CC.CC.CC(=O)NC(=O)CC(C)C=O.CCC
InChIInChI=1S/C7H11NO3.C3H8.3C2H6/c1-5(4-9)3-7(11)8-6(2)10;1-3-2;3*1-2/h4-5H,3H2,1-2H3,(H,8,10,11);3H2,1-2H3;3*1-2H3
InChIKeyAKMMVJKVSCYEGZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.37
Rot. Bonds3

About N-acetyl-3-methyl-4-oxobutanamide;ethane;propane

N-acetyl-3-methyl-4-oxobutanamide;ethane;propane (PubChem CID 143333813) has the molecular formula C16H37NO3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-acetyl-3-methyl-4-oxobutanamide;ethane;propane.

Molecular Properties

Compound NameN-acetyl-3-methyl-4-oxobutanamide;ethane;propane
PubChem CID143333813
Molecular FormulaC16H37NO3
Molecular Weight291.48 g/mol
Exact Mass291.28
IUPAC NameN-acetyl-3-methyl-4-oxobutanamide;ethane;propane
SMILESCC.CC.CC.CC(=O)NC(=O)CC(C)C=O.CCC
InChIInChI=1S/C7H11NO3.C3H8.3C2H6/c1-5(4-9)3-7(11)8-6(2)10;1-3-2;3*1-2/h4-5H,3H2,1-2H3,(H,8,10,11);3H2,1-2H3;3*1-2H3
InChIKeyAKMMVJKVSCYEGZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-methyl-4-oxobutanamide;ethane;propane?
The IUPAC name of N-acetyl-3-methyl-4-oxobutanamide;ethane;propane (CID 143333813) is N-acetyl-3-methyl-4-oxobutanamide;ethane;propane.
What is the SMILES notation for N-acetyl-3-methyl-4-oxobutanamide;ethane;propane?
The canonical SMILES for N-acetyl-3-methyl-4-oxobutanamide;ethane;propane is CC.CC.CC.CC(=O)NC(=O)CC(C)C=O.CCC.
What is the InChIKey of N-acetyl-3-methyl-4-oxobutanamide;ethane;propane?
The InChIKey is AKMMVJKVSCYEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C3H8.3C2H6/c1-5(4-9)3-7(11)8-6(2)10;1-3-2;3*1-2/h4-5H,3H2,1-2H3,(H,8,10,11);3H2,1-2H3;3*1-2H3.
What are the key properties of N-acetyl-3-methyl-4-oxobutanamide;ethane;propane?
N-acetyl-3-methyl-4-oxobutanamide;ethane;propane has a molecular weight of 291.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-methyl-4-oxobutanamide;ethane;propane is sourced from PubChem (CID 143333813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).