N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide

C13H24N2O3 — CID 143745107

IUPACN-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide
SMILESCNC(=O)CCCCCN(C)C(=O)CC(C)C=O
InChIInChI=1S/C13H24N2O3/c1-11(10-16)9-13(18)15(3)8-6-4-5-7-12(17)14-2/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyGXOCTGQOKQBLBV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds9

About N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide

N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide (PubChem CID 143745107) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide.

Molecular Properties

Compound NameN-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide
PubChem CID143745107
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide
SMILESCNC(=O)CCCCCN(C)C(=O)CC(C)C=O
InChIInChI=1S/C13H24N2O3/c1-11(10-16)9-13(18)15(3)8-6-4-5-7-12(17)14-2/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyGXOCTGQOKQBLBV-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
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-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide?
The IUPAC name of N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide (CID 143745107) is N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide.
What is the SMILES notation for N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide?
The canonical SMILES for N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide is CNC(=O)CCCCCN(C)C(=O)CC(C)C=O.
What is the InChIKey of N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide?
The InChIKey is GXOCTGQOKQBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(10-16)9-13(18)15(3)8-6-4-5-7-12(17)14-2/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide?
N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[methyl-(3-methyl-4-oxobutanoyl)amino]hexanamide is sourced from PubChem (CID 143745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).