N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide

C15H27NO3 — CID 146665726

IUPACN,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide
SMILESCC(C)C(=O)CCCCCN(C)C(=O)C(C)CC=O
InChIInChI=1S/C15H27NO3/c1-12(2)14(18)8-6-5-7-10-16(4)15(19)13(3)9-11-17/h11-13H,5-10H2,1-4H3
InChIKeyZOFTYVYMCFTEPY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.46
Rot. Bonds10

About N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide

N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide (PubChem CID 146665726) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide
PubChem CID146665726
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide
SMILESCC(C)C(=O)CCCCCN(C)C(=O)C(C)CC=O
InChIInChI=1S/C15H27NO3/c1-12(2)14(18)8-6-5-7-10-16(4)15(19)13(3)9-11-17/h11-13H,5-10H2,1-4H3
InChIKeyZOFTYVYMCFTEPY-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide?
The IUPAC name of N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide (CID 146665726) is N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide.
What is the SMILES notation for N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide?
The canonical SMILES for N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide is CC(C)C(=O)CCCCCN(C)C(=O)C(C)CC=O.
What is the InChIKey of N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide?
The InChIKey is ZOFTYVYMCFTEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)14(18)8-6-5-7-10-16(4)15(19)13(3)9-11-17/h11-13H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide?
N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide has a molecular weight of 269.38 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide is sourced from PubChem (CID 146665726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).