4-methyl-N-tridecylhexanamide

C20H41NO — CID 89162842

IUPAC4-methyl-N-tridecylhexanamide
SMILESCCCCCCCCCCCCCNC(=O)CCC(C)CC
InChIInChI=1S/C20H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-18-21-20(22)17-16-19(3)5-2/h19H,4-18H2,1-3H3,(H,21,22)
InChIKeyHZCNXOQFKXRAIN-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.24
Rot. Bonds16

About 4-methyl-N-tridecylhexanamide

4-methyl-N-tridecylhexanamide (PubChem CID 89162842) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-methyl-N-tridecylhexanamide.

Molecular Properties

Compound Name4-methyl-N-tridecylhexanamide
PubChem CID89162842
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-methyl-N-tridecylhexanamide
SMILESCCCCCCCCCCCCCNC(=O)CCC(C)CC
InChIInChI=1S/C20H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-18-21-20(22)17-16-19(3)5-2/h19H,4-18H2,1-3H3,(H,21,22)
InChIKeyHZCNXOQFKXRAIN-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-hexyl-6-methylheptanamide
CID 141197249
N-nonyltridecanamide
CID 154228217
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-tetradecylpentanamide
CID 87172595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-tridecylhexanamide?
The IUPAC name of 4-methyl-N-tridecylhexanamide (CID 89162842) is 4-methyl-N-tridecylhexanamide.
What is the SMILES notation for 4-methyl-N-tridecylhexanamide?
The canonical SMILES for 4-methyl-N-tridecylhexanamide is CCCCCCCCCCCCCNC(=O)CCC(C)CC.
What is the InChIKey of 4-methyl-N-tridecylhexanamide?
The InChIKey is HZCNXOQFKXRAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-18-21-20(22)17-16-19(3)5-2/h19H,4-18H2,1-3H3,(H,21,22).
What are the key properties of 4-methyl-N-tridecylhexanamide?
4-methyl-N-tridecylhexanamide has a molecular weight of 311.55 g/mol, XLogP of 6.24, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-tridecylhexanamide is sourced from PubChem (CID 89162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).