N-(3-amino-3-oxopropyl)octadecanamide

C21H42N2O2 — CID 57257667

IUPACN-(3-amino-3-oxopropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCC(N)=O
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-18-20(22)24/h2-19H2,1H3,(H2,22,24)(H,23,25)
InChIKeyQBZLBEXUYLKTNP-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.24
Rot. Bonds19

About N-(3-amino-3-oxopropyl)octadecanamide

N-(3-amino-3-oxopropyl)octadecanamide (PubChem CID 57257667) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)octadecanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)octadecanamide
PubChem CID57257667
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC NameN-(3-amino-3-oxopropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCC(N)=O
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-18-20(22)24/h2-19H2,1H3,(H2,22,24)(H,23,25)
InChIKeyQBZLBEXUYLKTNP-UHFFFAOYSA-N
XLogP5.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.24
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'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N-ethyloctadecanamide;octadecanamide
CID 159879248
N'-heptylundecanediamide;propanoic acid
CID 175230905
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N'-icosylbutanediamide
CID 175408923
N'-dodecylbutanediamide
CID 19973702
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)octadecanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)octadecanamide (CID 57257667) is N-(3-amino-3-oxopropyl)octadecanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)octadecanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)octadecanamide?
The InChIKey is QBZLBEXUYLKTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-18-20(22)24/h2-19H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)octadecanamide?
N-(3-amino-3-oxopropyl)octadecanamide has a molecular weight of 354.58 g/mol, XLogP of 5.24, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)octadecanamide is sourced from PubChem (CID 57257667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).