3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide

C20H24N2O — CID 19685204

IUPAC3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(/C(C)=N/NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O/c1-5-6-17-8-11-18(12-9-17)16(4)21-22-20(23)19-10-7-14(2)15(3)13-19/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-16+
InChIKeyPMSJHXDBDIGWPF-LTGZKZEYSA-N
MW308.43 g/mol
LogP4.41
Rot. Bonds5

About 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide

3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide (PubChem CID 19685204) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
PubChem CID19685204
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
SMILESCCCc1ccc(/C(C)=N/NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O/c1-5-6-17-8-11-18(12-9-17)16(4)21-22-20(23)19-10-7-14(2)15(3)13-19/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-16+
InChIKeyPMSJHXDBDIGWPF-LTGZKZEYSA-N
XLogP4.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.41
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'}

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Related Compounds

3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
CID 5002814
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide (CID 19685204) is 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide is CCCc1ccc(/C(C)=N/NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide?
The InChIKey is PMSJHXDBDIGWPF-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-5-6-17-8-11-18(12-9-17)16(4)21-22-20(23)19-10-7-14(2)15(3)13-19/h7-13H,5-6H2,1-4H3,(H,22,23)/b21-16+.
What are the key properties of 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide?
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide has a molecular weight of 308.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 19685204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).