N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide

C34H66N2O3 — CID 87387008

IUPACN-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CC(N)=O)C(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)36(31-32(35)37)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H2,35,37)
InChIKeyYPDVMSKFCDKPJA-UHFFFAOYSA-N
MW550.91 g/mol
LogP9.79
Rot. Bonds30

About N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide

N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide (PubChem CID 87387008) has the molecular formula C34H66N2O3 and a molecular weight of 550.91 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
PubChem CID87387008
Molecular FormulaC34H66N2O3
Molecular Weight550.91 g/mol
Exact Mass550.51
IUPAC NameN-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(CC(N)=O)C(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)36(31-32(35)37)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H2,35,37)
InChIKeyYPDVMSKFCDKPJA-UHFFFAOYSA-N
XLogP9.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.91
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
sodium;N-ethyl-N-undecanoylundecanamide;hydride
CID 173159792
N',N'-dioctylhexanediamide
CID 53437404
ethanol;tridecanamide
CID 174935457
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide (CID 87387008) is N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide is CCCCCCCCCCCCCCCC(=O)N(CC(N)=O)C(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide?
The InChIKey is YPDVMSKFCDKPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)36(31-32(35)37)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H2,35,37).
What are the key properties of N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide?
N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide has a molecular weight of 550.91 g/mol, XLogP of 9.79, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide is sourced from PubChem (CID 87387008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).