N-(cinnamylideneamino)undecanamide

C20H30N2O — CID 3458193

IUPACN-(cinnamylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-3-4-5-6-7-8-12-17-20(23)22-21-18-13-16-19-14-10-9-11-15-19/h9-11,13-16,18H,2-8,12,17H2,1H3,(H,22,23)
InChIKeyPINCGSZZFNCKSM-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.33
Rot. Bonds12

About N-(cinnamylideneamino)undecanamide

N-(cinnamylideneamino)undecanamide (PubChem CID 3458193) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-(cinnamylideneamino)undecanamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)undecanamide
PubChem CID3458193
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-(cinnamylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-3-4-5-6-7-8-12-17-20(23)22-21-18-13-16-19-14-10-9-11-15-19/h9-11,13-16,18H,2-8,12,17H2,1H3,(H,22,23)
InChIKeyPINCGSZZFNCKSM-UHFFFAOYSA-N
XLogP5.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
N-(but-2-enylideneamino)octanamide
CID 5180348
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
1,3-bis(cinnamylideneamino)urea
CID 2823909

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)undecanamide?
The IUPAC name of N-(cinnamylideneamino)undecanamide (CID 3458193) is N-(cinnamylideneamino)undecanamide.
What is the SMILES notation for N-(cinnamylideneamino)undecanamide?
The canonical SMILES for N-(cinnamylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=CC=Cc1ccccc1.
What is the InChIKey of N-(cinnamylideneamino)undecanamide?
The InChIKey is PINCGSZZFNCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-3-4-5-6-7-8-12-17-20(23)22-21-18-13-16-19-14-10-9-11-15-19/h9-11,13-16,18H,2-8,12,17H2,1H3,(H,22,23).
What are the key properties of N-(cinnamylideneamino)undecanamide?
N-(cinnamylideneamino)undecanamide has a molecular weight of 314.47 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)undecanamide is sourced from PubChem (CID 3458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).