N-propylideneundecanamide

C14H27NO — CID 90933467

IUPACN-propylideneundecanamide
SMILESCC/C=N/C(=O)CCCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h13H,3-12H2,1-2H3/b15-13+
InChIKeyKKGLKPCCQXLTBM-FYWRMAATSA-N
MW225.38 g/mol
LogP4.52
Rot. Bonds10

About N-propylideneundecanamide

N-propylideneundecanamide (PubChem CID 90933467) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-propylideneundecanamide.

Molecular Properties

Compound NameN-propylideneundecanamide
PubChem CID90933467
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-propylideneundecanamide
SMILESCC/C=N/C(=O)CCCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h13H,3-12H2,1-2H3/b15-13+
InChIKeyKKGLKPCCQXLTBM-FYWRMAATSA-N
XLogP4.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethylidene)octadecanamide
CID 87088165
N-tridecylidenedodecanamide
CID 87784437
N-(3-aminopropylidene)undecanamide
CID 87389177
N-propylidenehept-6-enamide
CID 87366045
N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
N-oxooctanamide
CID 87234486
N-oxotetradecanamide
CID 87730431
N-methylidenehexacosanamide
CID 89187174
N-sulfanylideneoctanamide
CID 58219363
N-methylidenedocosanamide
CID 175417802
N-(5-acetyliminopent-2-enylidene)dodecanamide
CID 173238813

Frequently Asked Questions

What is the IUPAC name of N-propylideneundecanamide?
The IUPAC name of N-propylideneundecanamide (CID 90933467) is N-propylideneundecanamide.
What is the SMILES notation for N-propylideneundecanamide?
The canonical SMILES for N-propylideneundecanamide is CC/C=N/C(=O)CCCCCCCCCC.
What is the InChIKey of N-propylideneundecanamide?
The InChIKey is KKGLKPCCQXLTBM-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-14(16)15-13-4-2/h13H,3-12H2,1-2H3/b15-13+.
What are the key properties of N-propylideneundecanamide?
N-propylideneundecanamide has a molecular weight of 225.38 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylideneundecanamide is sourced from PubChem (CID 90933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).