N-hexyl-N'-(7-methyldecyl)pentanediamide

C22H44N2O2 — CID 167061111

IUPACN-hexyl-N'-(7-methyldecyl)pentanediamide
SMILESCCCCCCNC(=O)CCCC(=O)NCCCCCCC(C)CCC
InChIInChI=1S/C22H44N2O2/c1-4-6-7-11-18-23-21(25)16-13-17-22(26)24-19-12-9-8-10-15-20(3)14-5-2/h20H,4-19H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQIYLUZBEJIKYTQ-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.36
Rot. Bonds18

About N-hexyl-N'-(7-methyldecyl)pentanediamide

N-hexyl-N'-(7-methyldecyl)pentanediamide (PubChem CID 167061111) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-hexyl-N'-(7-methyldecyl)pentanediamide.

Molecular Properties

Compound NameN-hexyl-N'-(7-methyldecyl)pentanediamide
PubChem CID167061111
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-hexyl-N'-(7-methyldecyl)pentanediamide
SMILESCCCCCCNC(=O)CCCC(=O)NCCCCCCC(C)CCC
InChIInChI=1S/C22H44N2O2/c1-4-6-7-11-18-23-21(25)16-13-17-22(26)24-19-12-9-8-10-15-20(3)14-5-2/h20H,4-19H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQIYLUZBEJIKYTQ-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-heptyl-N-hexylpentanediamide
CID 154688669
N-hexyl-6-methylheptanamide
CID 141197249
N-(8-methylheptadecyl)-7-[[(Z)-octadec-8-enyl]amino]heptanamide
CID 142147810
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
4-methyl-N-tridecylhexanamide
CID 89162842
4,7-bis[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;N,N'-di(tetradecyl)decanediamide;4-[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;4-propyl-N,N'-di(tetradecyl)heptanediamide;N-tetradecylheptanamide
CID 123155920
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-nonyltridecanamide
CID 154228217
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-(7-methyldecyl)pentanediamide?
The IUPAC name of N-hexyl-N'-(7-methyldecyl)pentanediamide (CID 167061111) is N-hexyl-N'-(7-methyldecyl)pentanediamide.
What is the SMILES notation for N-hexyl-N'-(7-methyldecyl)pentanediamide?
The canonical SMILES for N-hexyl-N'-(7-methyldecyl)pentanediamide is CCCCCCNC(=O)CCCC(=O)NCCCCCCC(C)CCC.
What is the InChIKey of N-hexyl-N'-(7-methyldecyl)pentanediamide?
The InChIKey is QIYLUZBEJIKYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-4-6-7-11-18-23-21(25)16-13-17-22(26)24-19-12-9-8-10-15-20(3)14-5-2/h20H,4-19H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-hexyl-N'-(7-methyldecyl)pentanediamide?
N-hexyl-N'-(7-methyldecyl)pentanediamide has a molecular weight of 368.61 g/mol, XLogP of 5.36, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-(7-methyldecyl)pentanediamide is sourced from PubChem (CID 167061111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).