N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide

C19H22N2O3 — CID 19060943

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2C)c(OCC)c1
InChIInChI=1S/C19H22N2O3/c1-4-23-16-11-10-15(18(12-16)24-5-2)13-20-21-19(22)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3,(H,21,22)/b20-13+
InChIKeyKXVGYVJYKKVERN-DEDYPNTBSA-N
MW326.40 g/mol
LogP3.56
Rot. Bonds7

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide (PubChem CID 19060943) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
PubChem CID19060943
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2C)c(OCC)c1
InChIInChI=1S/C19H22N2O3/c1-4-23-16-11-10-15(18(12-16)24-5-2)13-20-21-19(22)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3,(H,21,22)/b20-13+
InChIKeyKXVGYVJYKKVERN-DEDYPNTBSA-N
XLogP3.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.56
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

2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
[2-ethoxy-4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984343
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508571

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide (CID 19060943) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide is CCOc1ccc(/C=N/NC(=O)c2ccccc2C)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is KXVGYVJYKKVERN-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-23-16-11-10-15(18(12-16)24-5-2)13-20-21-19(22)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).