7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen

C24H48N2O4 — CID 145408102

IUPAC7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
SMILESCC(C)C(=O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C24H44N2O4.2H2/c1-19(2)21(27)13-7-9-15-23(29)25-17-11-5-6-12-18-26-24(30)16-10-8-14-22(28)20(3)4;;/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30);2*1H
InChIKeyYRYFHSDIEZDNRS-UHFFFAOYSA-N
MW428.66 g/mol
LogP4.84
Rot. Bonds19

About 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen

7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen (PubChem CID 145408102) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen.

Molecular Properties

Compound Name7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
PubChem CID145408102
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Name7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
SMILESCC(C)C(=O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C24H44N2O4.2H2/c1-19(2)21(27)13-7-9-15-23(29)25-17-11-5-6-12-18-26-24(30)16-10-8-14-22(28)20(3)4;;/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30);2*1H
InChIKeyYRYFHSDIEZDNRS-UHFFFAOYSA-N
XLogP4.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
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
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
CID 145408091
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen?
The IUPAC name of 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen (CID 145408102) is 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen.
What is the SMILES notation for 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen?
The canonical SMILES for 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen is CC(C)C(=O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)C(C)C.[H][H].[H][H].
What is the InChIKey of 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen?
The InChIKey is YRYFHSDIEZDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4.2H2/c1-19(2)21(27)13-7-9-15-23(29)25-17-11-5-6-12-18-26-24(30)16-10-8-14-22(28)20(3)4;;/h19-20H,5-18H2,1-4H3,(H,25,29)(H,26,30);2*1H.
What are the key properties of 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen?
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen has a molecular weight of 428.66 g/mol, XLogP of 4.84, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen is sourced from PubChem (CID 145408102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).