7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide

C25H46N2O4 — CID 170246304

IUPAC7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
SMILESCC(C)C(=O)CCCCC(=O)NCCCCCCCNC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C25H46N2O4/c1-20(2)22(28)14-8-10-16-24(30)26-18-12-6-5-7-13-19-27-25(31)17-11-9-15-23(29)21(3)4/h20-21H,5-19H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyYKRKSGJKXINIHG-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.74
Rot. Bonds20

About 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide (PubChem CID 170246304) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide.

Molecular Properties

Compound Name7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
PubChem CID170246304
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Name7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
SMILESCC(C)C(=O)CCCCC(=O)NCCCCCCCNC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C25H46N2O4/c1-20(2)22(28)14-8-10-16-24(30)26-18-12-6-5-7-13-19-27-25(31)17-11-9-15-23(29)21(3)4/h20-21H,5-19H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyYKRKSGJKXINIHG-UHFFFAOYSA-N
XLogP4.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.74
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

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
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
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
(6-methyl-5-oxoheptyl)carbamothioic S-acid
CID 138728799
methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide?
The IUPAC name of 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide (CID 170246304) is 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide.
What is the SMILES notation for 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide?
The canonical SMILES for 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide is CC(C)C(=O)CCCCC(=O)NCCCCCCCNC(=O)CCCCC(=O)C(C)C.
What is the InChIKey of 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide?
The InChIKey is YKRKSGJKXINIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-20(2)22(28)14-8-10-16-24(30)26-18-12-6-5-7-13-19-27-25(31)17-11-9-15-23(29)21(3)4/h20-21H,5-19H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide?
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide has a molecular weight of 438.65 g/mol, XLogP of 4.74, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide is sourced from PubChem (CID 170246304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).