15-ethylnonacosanediamide

C31H62N2O2 — CID 141183964

IUPAC15-ethylnonacosanediamide
SMILESCCC(CCCCCCCCCCCCCC(N)=O)CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C31H62N2O2/c1-2-29(25-21-17-13-9-5-3-7-11-15-19-23-27-30(32)34)26-22-18-14-10-6-4-8-12-16-20-24-28-31(33)35/h29H,2-28H2,1H3,(H2,32,34)(H2,33,35)
InChIKeyQGZZFWCHMZBAPO-UHFFFAOYSA-N
MW494.85 g/mol
LogP9.13
Rot. Bonds29

About 15-ethylnonacosanediamide

15-ethylnonacosanediamide (PubChem CID 141183964) has the molecular formula C31H62N2O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is 15-ethylnonacosanediamide.

Molecular Properties

Compound Name15-ethylnonacosanediamide
PubChem CID141183964
Molecular FormulaC31H62N2O2
Molecular Weight494.85 g/mol
Exact Mass494.48
IUPAC Name15-ethylnonacosanediamide
SMILESCCC(CCCCCCCCCCCCCC(N)=O)CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C31H62N2O2/c1-2-29(25-21-17-13-9-5-3-7-11-15-19-23-27-30(32)34)26-22-18-14-10-6-4-8-12-16-20-24-28-31(33)35/h29H,2-28H2,1H3,(H2,32,34)(H2,33,35)
InChIKeyQGZZFWCHMZBAPO-UHFFFAOYSA-N
XLogP9.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 59.13
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

azane;7-ethyloctadecanedioic acid
CID 173365453
4-hexyldecanamide
CID 129239397
5-ethyldecanedioic acid
CID 54495296
4-ethyltetradecanedioyl dichloride
CID 87116546
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
21-methyldotetracontanediamide
CID 87333254
(Z)-18-butyldocos-9-enamide
CID 135362896
(9Z,28Z)-19-pentylheptatriaconta-9,28-dienediamide
CID 141048473
6-ethylnonanoic acid
CID 19689071
7-ethylhexadecyl hexanoate
CID 141147025

Frequently Asked Questions

What is the IUPAC name of 15-ethylnonacosanediamide?
The IUPAC name of 15-ethylnonacosanediamide (CID 141183964) is 15-ethylnonacosanediamide.
What is the SMILES notation for 15-ethylnonacosanediamide?
The canonical SMILES for 15-ethylnonacosanediamide is CCC(CCCCCCCCCCCCCC(N)=O)CCCCCCCCCCCCCC(N)=O.
What is the InChIKey of 15-ethylnonacosanediamide?
The InChIKey is QGZZFWCHMZBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2O2/c1-2-29(25-21-17-13-9-5-3-7-11-15-19-23-27-30(32)34)26-22-18-14-10-6-4-8-12-16-20-24-28-31(33)35/h29H,2-28H2,1H3,(H2,32,34)(H2,33,35).
What are the key properties of 15-ethylnonacosanediamide?
15-ethylnonacosanediamide has a molecular weight of 494.85 g/mol, XLogP of 9.13, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethylnonacosanediamide is sourced from PubChem (CID 141183964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).