11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide

C18H33NO3 — CID 138660324

IUPAC11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
SMILESCC(C)C(=O)CCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-14(2)16(20)11-9-7-5-6-8-10-12-18(22)19-13-17(21)15(3)4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyZPYZQNLKIBOWJP-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.67
Rot. Bonds13

About 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide (PubChem CID 138660324) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide.

Molecular Properties

Compound Name11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
PubChem CID138660324
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
SMILESCC(C)C(=O)CCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-14(2)16(20)11-9-7-5-6-8-10-12-18(22)19-13-17(21)15(3)4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyZPYZQNLKIBOWJP-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide
CID 58223951

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide?
The IUPAC name of 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide (CID 138660324) is 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide.
What is the SMILES notation for 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide?
The canonical SMILES for 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide is CC(C)C(=O)CCCCCCCCC(=O)NCC(=O)C(C)C.
What is the InChIKey of 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide?
The InChIKey is ZPYZQNLKIBOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-14(2)16(20)11-9-7-5-6-8-10-12-18(22)19-13-17(21)15(3)4/h14-15H,5-13H2,1-4H3,(H,19,22).
What are the key properties of 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide?
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide has a molecular weight of 311.47 g/mol, XLogP of 3.67, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide is sourced from PubChem (CID 138660324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).