N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide

C19H22N2O3 — CID 3627864

IUPACN-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-6-8-16(13(2)10-12)14(3)20-21-19(22)15-7-9-17(23-4)18(11-15)24-5/h6-11H,1-5H3,(H,21,22)
InChIKeyLAOQPBHDHOQWCE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide

N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide (PubChem CID 3627864) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
PubChem CID3627864
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-6-8-16(13(2)10-12)14(3)20-21-19(22)15-7-9-17(23-4)18(11-15)24-5/h6-11H,1-5H3,(H,21,22)
InChIKeyLAOQPBHDHOQWCE-UHFFFAOYSA-N
XLogP3.47
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 3285738
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 5336811

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide (CID 3627864) is N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=C(C)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is LAOQPBHDHOQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-6-8-16(13(2)10-12)14(3)20-21-19(22)15-7-9-17(23-4)18(11-15)24-5/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3627864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).