N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide

C21H34N2O — CID 3644436

IUPACN-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C21H34N2O/c1-5-6-7-8-9-10-11-12-13-21(24)23-22-19(4)20-15-14-17(2)18(3)16-20/h14-16H,5-13H2,1-4H3,(H,23,24)
InChIKeyJFWWUTLVOPWPKO-UHFFFAOYSA-N
MW330.52 g/mol
LogP5.67
Rot. Bonds11

About N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide

N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide (PubChem CID 3644436) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
PubChem CID3644436
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C21H34N2O/c1-5-6-7-8-9-10-11-12-13-21(24)23-22-19(4)20-15-14-17(2)18(3)16-20/h14-16H,5-13H2,1-4H3,(H,23,24)
InChIKeyJFWWUTLVOPWPKO-UHFFFAOYSA-N
XLogP5.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.67
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'}

Analyze N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[1-(2,4-dimethylphenyl)ethylideneamino]decanamide
CID 3291865
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide (CID 3644436) is N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide is CCCCCCCCCCC(=O)NN=C(C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide?
The InChIKey is JFWWUTLVOPWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-5-6-7-8-9-10-11-12-13-21(24)23-22-19(4)20-15-14-17(2)18(3)16-20/h14-16H,5-13H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide?
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide has a molecular weight of 330.52 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide is sourced from PubChem (CID 3644436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).