N-dec-9-enyl-N-decyl-3-hexyltetradecanamide

C40H79NO — CID 20565310

IUPACN-dec-9-enyl-N-decyl-3-hexyltetradecanamide
SMILESC=CCCCCCCCCN(CCCCCCCCCC)C(=O)CC(CCCCCC)CCCCCCCCCCC
InChIInChI=1S/C40H79NO/c1-5-9-13-17-20-23-24-27-31-35-39(34-30-16-12-8-4)38-40(42)41(36-32-28-25-21-18-14-10-6-2)37-33-29-26-22-19-15-11-7-3/h6,39H,2,5,7-38H2,1,3-4H3
InChIKeyGCRZOWWCAOSZSE-UHFFFAOYSA-N
MW590.08 g/mol
LogP13.77
Rot. Bonds35

About N-dec-9-enyl-N-decyl-3-hexyltetradecanamide

N-dec-9-enyl-N-decyl-3-hexyltetradecanamide (PubChem CID 20565310) has the molecular formula C40H79NO and a molecular weight of 590.08 g/mol. Its IUPAC name is N-dec-9-enyl-N-decyl-3-hexyltetradecanamide.

Molecular Properties

Compound NameN-dec-9-enyl-N-decyl-3-hexyltetradecanamide
PubChem CID20565310
Molecular FormulaC40H79NO
Molecular Weight590.08 g/mol
Exact Mass589.62
IUPAC NameN-dec-9-enyl-N-decyl-3-hexyltetradecanamide
SMILESC=CCCCCCCCCN(CCCCCCCCCC)C(=O)CC(CCCCCC)CCCCCCCCCCC
InChIInChI=1S/C40H79NO/c1-5-9-13-17-20-23-24-27-31-35-39(34-30-16-12-8-4)38-40(42)41(36-32-28-25-21-18-14-10-6-2)37-33-29-26-22-19-15-11-7-3/h6,39H,2,5,7-38H2,1,3-4H3
InChIKeyGCRZOWWCAOSZSE-UHFFFAOYSA-N
XLogP13.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.08
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N,N-dimethyl-3-nonyldocos-13-enamide
CID 123595893
8-ethylpentadec-1-ene
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10-ethyldocos-1-ene
CID 91804827
9-ethylhexadec-1-ene
CID 163949602
N-(2,3-dihydroxypropyl)-3-ethyl-N-icos-8-enyloctanamide
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Frequently Asked Questions

What is the IUPAC name of N-dec-9-enyl-N-decyl-3-hexyltetradecanamide?
The IUPAC name of N-dec-9-enyl-N-decyl-3-hexyltetradecanamide (CID 20565310) is N-dec-9-enyl-N-decyl-3-hexyltetradecanamide.
What is the SMILES notation for N-dec-9-enyl-N-decyl-3-hexyltetradecanamide?
The canonical SMILES for N-dec-9-enyl-N-decyl-3-hexyltetradecanamide is C=CCCCCCCCCN(CCCCCCCCCC)C(=O)CC(CCCCCC)CCCCCCCCCCC.
What is the InChIKey of N-dec-9-enyl-N-decyl-3-hexyltetradecanamide?
The InChIKey is GCRZOWWCAOSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H79NO/c1-5-9-13-17-20-23-24-27-31-35-39(34-30-16-12-8-4)38-40(42)41(36-32-28-25-21-18-14-10-6-2)37-33-29-26-22-19-15-11-7-3/h6,39H,2,5,7-38H2,1,3-4H3.
What are the key properties of N-dec-9-enyl-N-decyl-3-hexyltetradecanamide?
N-dec-9-enyl-N-decyl-3-hexyltetradecanamide has a molecular weight of 590.08 g/mol, XLogP of 13.77, 35 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-9-enyl-N-decyl-3-hexyltetradecanamide is sourced from PubChem (CID 20565310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).