N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide

C24H44N2O4 — CID 167608472

IUPACN'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
SMILESCC(C)C(=O)CCCNC(=O)CCCCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C24H44N2O4/c1-19(2)21(27)14-13-17-25-23(29)15-11-9-7-5-6-8-10-12-16-24(30)26-18-22(28)20(3)4/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyCXTPQUPSCRBEGY-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.35
Rot. Bonds19

About N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide

N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide (PubChem CID 167608472) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide.

Molecular Properties

Compound NameN'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
PubChem CID167608472
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC NameN'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
SMILESCC(C)C(=O)CCCNC(=O)CCCCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C24H44N2O4/c1-19(2)21(27)14-13-17-25-23(29)15-11-9-7-5-6-8-10-12-16-24(30)26-18-22(28)20(3)4/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyCXTPQUPSCRBEGY-UHFFFAOYSA-N
XLogP4.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
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
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide?
The IUPAC name of N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide (CID 167608472) is N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide.
What is the SMILES notation for N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide?
The canonical SMILES for N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide is CC(C)C(=O)CCCNC(=O)CCCCCCCCCCC(=O)NCC(=O)C(C)C.
What is the InChIKey of N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide?
The InChIKey is CXTPQUPSCRBEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-19(2)21(27)14-13-17-25-23(29)15-11-9-7-5-6-8-10-12-16-24(30)26-18-22(28)20(3)4/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide?
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide has a molecular weight of 424.63 g/mol, XLogP of 4.35, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide is sourced from PubChem (CID 167608472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).