N-(2-aminopropyl)octadecanamide

C21H44N2O — CID 86003506

IUPACN-(2-aminopropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)N
InChIInChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(2)22/h20H,3-19,22H2,1-2H3,(H,23,24)
InChIKeyDHSINIZBPLXIBV-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.71
Rot. Bonds18

About N-(2-aminopropyl)octadecanamide

N-(2-aminopropyl)octadecanamide (PubChem CID 86003506) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is N-(2-aminopropyl)octadecanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)octadecanamide
PubChem CID86003506
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC NameN-(2-aminopropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(C)N
InChIInChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(2)22/h20H,3-19,22H2,1-2H3,(H,23,24)
InChIKeyDHSINIZBPLXIBV-UHFFFAOYSA-N
XLogP5.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.71
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-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
CID 65450102
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
N-(2-methylpentyl)hexanamide
CID 173325003
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
N-(2-ethoxypropyl)dodecanamide
CID 173205784
N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042
3-methyl-2-[(octanoylamino)methyl]butanoic acid
CID 65215548

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)octadecanamide?
The IUPAC name of N-(2-aminopropyl)octadecanamide (CID 86003506) is N-(2-aminopropyl)octadecanamide.
What is the SMILES notation for N-(2-aminopropyl)octadecanamide?
The canonical SMILES for N-(2-aminopropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)octadecanamide?
The InChIKey is DHSINIZBPLXIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(2)22/h20H,3-19,22H2,1-2H3,(H,23,24).
What are the key properties of N-(2-aminopropyl)octadecanamide?
N-(2-aminopropyl)octadecanamide has a molecular weight of 340.60 g/mol, XLogP of 5.71, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)octadecanamide is sourced from PubChem (CID 86003506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).