N-(5-acetyliminopent-2-enylidene)dodecanamide

C19H32N2O2 — CID 173238813

IUPACN-(5-acetyliminopent-2-enylidene)dodecanamide
SMILESCCCCCCCCCCCC(=O)/N=C/C=CC/C=N/C(C)=O
InChIInChI=1S/C19H32N2O2/c1-3-4-5-6-7-8-9-10-12-15-19(23)21-17-14-11-13-16-20-18(2)22/h11,14,16-17H,3-10,12-13,15H2,1-2H3/b14-11?,20-16+,21-17+
InChIKeyXHCBZTZRCUPALE-LEFITLIDSA-N
MW320.48 g/mol
LogP5.07
Rot. Bonds13

About N-(5-acetyliminopent-2-enylidene)dodecanamide

N-(5-acetyliminopent-2-enylidene)dodecanamide (PubChem CID 173238813) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(5-acetyliminopent-2-enylidene)dodecanamide.

Molecular Properties

Compound NameN-(5-acetyliminopent-2-enylidene)dodecanamide
PubChem CID173238813
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-(5-acetyliminopent-2-enylidene)dodecanamide
SMILESCCCCCCCCCCCC(=O)/N=C/C=CC/C=N/C(C)=O
InChIInChI=1S/C19H32N2O2/c1-3-4-5-6-7-8-9-10-12-15-19(23)21-17-14-11-13-16-20-18(2)22/h11,14,16-17H,3-10,12-13,15H2,1-2H3/b14-11?,20-16+,21-17+
InChIKeyXHCBZTZRCUPALE-LEFITLIDSA-N
XLogP5.07
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
N-tridecylidenedodecanamide
CID 87784437
N-propylideneundecanamide
CID 90933467
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
N-(2-hydroxyethylidene)octadecanamide
CID 87088165
N-(3-aminopropylidene)undecanamide
CID 87389177
(Z)-N-sulfanylideneoctadec-9-enamide
CID 174916160
nonadeca-9,11-dien-2-one
CID 76564066
nonadeca-11,13-dien-2-one
CID 72744637
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
(E)-icos-10-en-2-one
CID 137410632

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyliminopent-2-enylidene)dodecanamide?
The IUPAC name of N-(5-acetyliminopent-2-enylidene)dodecanamide (CID 173238813) is N-(5-acetyliminopent-2-enylidene)dodecanamide.
What is the SMILES notation for N-(5-acetyliminopent-2-enylidene)dodecanamide?
The canonical SMILES for N-(5-acetyliminopent-2-enylidene)dodecanamide is CCCCCCCCCCCC(=O)/N=C/C=CC/C=N/C(C)=O.
What is the InChIKey of N-(5-acetyliminopent-2-enylidene)dodecanamide?
The InChIKey is XHCBZTZRCUPALE-LEFITLIDSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-4-5-6-7-8-9-10-12-15-19(23)21-17-14-11-13-16-20-18(2)22/h11,14,16-17H,3-10,12-13,15H2,1-2H3/b14-11?,20-16+,21-17+.
What are the key properties of N-(5-acetyliminopent-2-enylidene)dodecanamide?
N-(5-acetyliminopent-2-enylidene)dodecanamide has a molecular weight of 320.48 g/mol, XLogP of 5.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyliminopent-2-enylidene)dodecanamide is sourced from PubChem (CID 173238813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).