N-ethoxy-N-hexadecanoylhexadecanamide

C34H67NO3 — CID 175352963

IUPACN-ethoxy-N-hexadecanoylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(OCC)C(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35(38-6-3)34(37)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-32H2,1-3H3
InChIKeyCCMIGQVMTYWFBR-UHFFFAOYSA-N
MW537.91 g/mol
LogP11.26
Rot. Bonds30

About N-ethoxy-N-hexadecanoylhexadecanamide

N-ethoxy-N-hexadecanoylhexadecanamide (PubChem CID 175352963) has the molecular formula C34H67NO3 and a molecular weight of 537.91 g/mol. Its IUPAC name is N-ethoxy-N-hexadecanoylhexadecanamide.

Molecular Properties

Compound NameN-ethoxy-N-hexadecanoylhexadecanamide
PubChem CID175352963
Molecular FormulaC34H67NO3
Molecular Weight537.91 g/mol
Exact Mass537.51
IUPAC NameN-ethoxy-N-hexadecanoylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(OCC)C(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35(38-6-3)34(37)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-32H2,1-3H3
InChIKeyCCMIGQVMTYWFBR-UHFFFAOYSA-N
XLogP11.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyl-N-methyldecanamide
CID 141076390
N-acetyl-N-methoxynonanamide
CID 18671324
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-acetyl-N-methyltetradecanamide
CID 54508567
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-amino-N-hydroxydocosanamide
CID 87686885
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-hexadecanoylhexadecanamide?
The IUPAC name of N-ethoxy-N-hexadecanoylhexadecanamide (CID 175352963) is N-ethoxy-N-hexadecanoylhexadecanamide.
What is the SMILES notation for N-ethoxy-N-hexadecanoylhexadecanamide?
The canonical SMILES for N-ethoxy-N-hexadecanoylhexadecanamide is CCCCCCCCCCCCCCCC(=O)N(OCC)C(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-ethoxy-N-hexadecanoylhexadecanamide?
The InChIKey is CCMIGQVMTYWFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)35(38-6-3)34(37)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-32H2,1-3H3.
What are the key properties of N-ethoxy-N-hexadecanoylhexadecanamide?
N-ethoxy-N-hexadecanoylhexadecanamide has a molecular weight of 537.91 g/mol, XLogP of 11.26, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-hexadecanoylhexadecanamide is sourced from PubChem (CID 175352963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).