N-prop-2-enylundecanamide

C14H27NO — CID 3314752

IUPACN-prop-2-enylundecanamide
SMILESC=CCNC(=O)CCCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h4H,2-3,5-13H2,1H3,(H,15,16)
InChIKeyKTJPKYAMYSZOIT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.82
Rot. Bonds11

About N-prop-2-enylundecanamide

N-prop-2-enylundecanamide (PubChem CID 3314752) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-prop-2-enylundecanamide.

Molecular Properties

Compound NameN-prop-2-enylundecanamide
PubChem CID3314752
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-prop-2-enylundecanamide
SMILESC=CCNC(=O)CCCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h4H,2-3,5-13H2,1H3,(H,15,16)
InChIKeyKTJPKYAMYSZOIT-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.82
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-enylundecanamide?
The IUPAC name of N-prop-2-enylundecanamide (CID 3314752) is N-prop-2-enylundecanamide.
What is the SMILES notation for N-prop-2-enylundecanamide?
The canonical SMILES for N-prop-2-enylundecanamide is C=CCNC(=O)CCCCCCCCCC.
What is the InChIKey of N-prop-2-enylundecanamide?
The InChIKey is KTJPKYAMYSZOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h4H,2-3,5-13H2,1H3,(H,15,16).
What are the key properties of N-prop-2-enylundecanamide?
N-prop-2-enylundecanamide has a molecular weight of 225.38 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylundecanamide is sourced from PubChem (CID 3314752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).