N-prop-2-enyldodecanamide

C15H29NO — CID 5121936

IUPACN-prop-2-enyldodecanamide
SMILESC=CCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-11-12-13-15(17)16-14-4-2/h4H,2-3,5-14H2,1H3,(H,16,17)
InChIKeyQETSRTWWFUBYGR-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.21
Rot. Bonds12

About N-prop-2-enyldodecanamide

N-prop-2-enyldodecanamide (PubChem CID 5121936) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-prop-2-enyldodecanamide.

Molecular Properties

Compound NameN-prop-2-enyldodecanamide
PubChem CID5121936
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-prop-2-enyldodecanamide
SMILESC=CCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-11-12-13-15(17)16-14-4-2/h4H,2-3,5-14H2,1H3,(H,16,17)
InChIKeyQETSRTWWFUBYGR-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyldodecanamide?
The IUPAC name of N-prop-2-enyldodecanamide (CID 5121936) is N-prop-2-enyldodecanamide.
What is the SMILES notation for N-prop-2-enyldodecanamide?
The canonical SMILES for N-prop-2-enyldodecanamide is C=CCNC(=O)CCCCCCCCCCC.
What is the InChIKey of N-prop-2-enyldodecanamide?
The InChIKey is QETSRTWWFUBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-11-12-13-15(17)16-14-4-2/h4H,2-3,5-14H2,1H3,(H,16,17).
What are the key properties of N-prop-2-enyldodecanamide?
N-prop-2-enyldodecanamide has a molecular weight of 239.40 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyldodecanamide is sourced from PubChem (CID 5121936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).