2-triacont-19-enylbutanediamide

C34H66N2O2 — CID 155758594

IUPAC2-triacont-19-enylbutanediamide
SMILESCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC(CC(N)=O)C(N)=O
InChIInChI=1S/C34H66N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(34(36)38)31-33(35)37/h11-12,32H,2-10,13-31H2,1H3,(H2,35,37)(H2,36,38)
InChIKeyVNYDHZKDPYNXHA-UHFFFAOYSA-N
MW534.91 g/mol
LogP10.07
Rot. Bonds31

About 2-triacont-19-enylbutanediamide

2-triacont-19-enylbutanediamide (PubChem CID 155758594) has the molecular formula C34H66N2O2 and a molecular weight of 534.91 g/mol. Its IUPAC name is 2-triacont-19-enylbutanediamide.

Molecular Properties

Compound Name2-triacont-19-enylbutanediamide
PubChem CID155758594
Molecular FormulaC34H66N2O2
Molecular Weight534.91 g/mol
Exact Mass534.51
IUPAC Name2-triacont-19-enylbutanediamide
SMILESCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC(CC(N)=O)C(N)=O
InChIInChI=1S/C34H66N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(34(36)38)31-33(35)37/h11-12,32H,2-10,13-31H2,1H3,(H2,35,37)(H2,36,38)
InChIKeyVNYDHZKDPYNXHA-UHFFFAOYSA-N
XLogP10.07
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.91
LogP ≤ 510.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-hexadecylicos-11-enamide
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CID 174792475
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-propylpentadec-12-enamide
CID 140789698
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
(E)-2-methyloctadec-9-enamide
CID 19371032

Frequently Asked Questions

What is the IUPAC name of 2-triacont-19-enylbutanediamide?
The IUPAC name of 2-triacont-19-enylbutanediamide (CID 155758594) is 2-triacont-19-enylbutanediamide.
What is the SMILES notation for 2-triacont-19-enylbutanediamide?
The canonical SMILES for 2-triacont-19-enylbutanediamide is CCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-triacont-19-enylbutanediamide?
The InChIKey is VNYDHZKDPYNXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(34(36)38)31-33(35)37/h11-12,32H,2-10,13-31H2,1H3,(H2,35,37)(H2,36,38).
What are the key properties of 2-triacont-19-enylbutanediamide?
2-triacont-19-enylbutanediamide has a molecular weight of 534.91 g/mol, XLogP of 10.07, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triacont-19-enylbutanediamide is sourced from PubChem (CID 155758594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).