N-pentylicosanamide

C25H51NO — CID 139961886

IUPACN-pentylicosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCCCC
InChIInChI=1S/C25H51NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h3-24H2,1-2H3,(H,26,27)
InChIKeyDOKXHJMNQVKAPW-UHFFFAOYSA-N
MW381.69 g/mol
LogP8.33
Rot. Bonds22

About N-pentylicosanamide

N-pentylicosanamide (PubChem CID 139961886) has the molecular formula C25H51NO and a molecular weight of 381.69 g/mol. Its IUPAC name is N-pentylicosanamide.

Molecular Properties

Compound NameN-pentylicosanamide
PubChem CID139961886
Molecular FormulaC25H51NO
Molecular Weight381.69 g/mol
Exact Mass381.40
IUPAC NameN-pentylicosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCCCC
InChIInChI=1S/C25H51NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h3-24H2,1-2H3,(H,26,27)
InChIKeyDOKXHJMNQVKAPW-UHFFFAOYSA-N
XLogP8.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 58.33
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
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-nonyltridecanamide
CID 154228217
N-hexadecylhexanamide
CID 4953738
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-pentylicosanamide?
The IUPAC name of N-pentylicosanamide (CID 139961886) is N-pentylicosanamide.
What is the SMILES notation for N-pentylicosanamide?
The canonical SMILES for N-pentylicosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NCCCCC.
What is the InChIKey of N-pentylicosanamide?
The InChIKey is DOKXHJMNQVKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h3-24H2,1-2H3,(H,26,27).
What are the key properties of N-pentylicosanamide?
N-pentylicosanamide has a molecular weight of 381.69 g/mol, XLogP of 8.33, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylicosanamide is sourced from PubChem (CID 139961886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).