3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide

C19H22N2O — CID 4218759

IUPAC3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(C(C)=NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-4-6-16-9-11-17(12-10-16)15(3)20-21-19(22)18-8-5-7-14(2)13-18/h5,7-13H,4,6H2,1-3H3,(H,21,22)
InChIKeyLEFFESBODOBPEF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.10
Rot. Bonds5

About 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide

3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide (PubChem CID 4218759) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
PubChem CID4218759
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(C(C)=NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-4-6-16-9-11-17(12-10-16)15(3)20-21-19(22)18-8-5-7-14(2)13-18/h5,7-13H,4,6H2,1-3H3,(H,21,22)
InChIKeyLEFFESBODOBPEF-UHFFFAOYSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide 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

3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
CID 5002814
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide (CID 4218759) is 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide is CCCc1ccc(C(C)=NNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
The InChIKey is LEFFESBODOBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-6-16-9-11-17(12-10-16)15(3)20-21-19(22)18-8-5-7-14(2)13-18/h5,7-13H,4,6H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide?
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide has a molecular weight of 294.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4218759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).