N-(7-methyloctyl)-4-oxododecanamide

C21H41NO2 — CID 165096838

IUPACN-(7-methyloctyl)-4-oxododecanamide
SMILESCCCCCCCCC(=O)CCC(=O)NCCCCCCC(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-12-15-20(23)16-17-21(24)22-18-13-10-9-11-14-19(2)3/h19H,4-18H2,1-3H3,(H,22,24)
InChIKeyXQRQYMHUHYTHLS-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.81
Rot. Bonds17

About N-(7-methyloctyl)-4-oxododecanamide

N-(7-methyloctyl)-4-oxododecanamide (PubChem CID 165096838) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-(7-methyloctyl)-4-oxododecanamide.

Molecular Properties

Compound NameN-(7-methyloctyl)-4-oxododecanamide
PubChem CID165096838
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-(7-methyloctyl)-4-oxododecanamide
SMILESCCCCCCCCC(=O)CCC(=O)NCCCCCCC(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-12-15-20(23)16-17-21(24)22-18-13-10-9-11-14-19(2)3/h19H,4-18H2,1-3H3,(H,22,24)
InChIKeyXQRQYMHUHYTHLS-UHFFFAOYSA-N
XLogP5.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-6-methylheptanamide
CID 141197249
N-butyl-7-methyloctanamide
CID 154028337
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(8-oxotridecyl)hexanamide
CID 148531467
35-methylhexatriacontan-18-one
CID 154265958
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-hexadecyl-4-oxohexanamide
CID 59141452
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-4-oxododecanamide?
The IUPAC name of N-(7-methyloctyl)-4-oxododecanamide (CID 165096838) is N-(7-methyloctyl)-4-oxododecanamide.
What is the SMILES notation for N-(7-methyloctyl)-4-oxododecanamide?
The canonical SMILES for N-(7-methyloctyl)-4-oxododecanamide is CCCCCCCCC(=O)CCC(=O)NCCCCCCC(C)C.
What is the InChIKey of N-(7-methyloctyl)-4-oxododecanamide?
The InChIKey is XQRQYMHUHYTHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-4-5-6-7-8-12-15-20(23)16-17-21(24)22-18-13-10-9-11-14-19(2)3/h19H,4-18H2,1-3H3,(H,22,24).
What are the key properties of N-(7-methyloctyl)-4-oxododecanamide?
N-(7-methyloctyl)-4-oxododecanamide has a molecular weight of 339.56 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-4-oxododecanamide is sourced from PubChem (CID 165096838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).