N-dodecyl-2-propylpentanamide

C20H41NO — CID 3032189

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

About N-dodecyl-2-propylpentanamide

N-dodecyl-2-propylpentanamide (PubChem CID 3032189) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-dodecyl-2-propylpentanamide.

Molecular Properties

Compound NameN-dodecyl-2-propylpentanamide
PubChem CID3032189
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-dodecyl-2-propylpentanamide
SMILESCCCCCCCCCCCCNC(=O)C(CCC)CCC
InChIInChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-18-21-20(22)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3,(H,21,22)
InChIKeyHGHCDNHMPJUPLF-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-(2-methylpropyl)dodecanamide
CID 345934
Dodecanamide, N-hexyl-
CID 3505480
Isostearamidopropyl Dimethylamine
CID 105621
N-(13-Methyltetradecyl)acetamide
CID 47346
Hexanamide, 2-ethyl-N-methyl-
CID 14216
Dodecanamide, N-butyl-
CID 94896
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-isobutyloctanamide
CID 230173
N-isobutyl-decanamide
CID 3613503
N-(2-Methylpropyl)hexacosanamide
CID 14162529
Hexadecanoic Acid Propylamide
CID 10379895
N-(2-methylbutyl)dodecanamide
CID 122184887

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-propylpentanamide?
The IUPAC name of N-dodecyl-2-propylpentanamide (CID 3032189) is N-dodecyl-2-propylpentanamide.
What is the SMILES notation for N-dodecyl-2-propylpentanamide?
The canonical SMILES for N-dodecyl-2-propylpentanamide is CCCCCCCCCCCCNC(=O)C(CCC)CCC.
What is the InChIKey of N-dodecyl-2-propylpentanamide?
The InChIKey is HGHCDNHMPJUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-18-21-20(22)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3,(H,21,22).
What are the key properties of N-dodecyl-2-propylpentanamide?
N-dodecyl-2-propylpentanamide 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 N-dodecyl-2-propylpentanamide is sourced from PubChem (CID 3032189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).