N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide

C18H20N2O3 — CID 3508725

IUPACN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H20N2O3/c1-4-23-16-10-9-14(11-17(16)22-3)12-19-20-18(21)15-8-6-5-7-13(15)2/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyCAFLRARPSKCLQN-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide

N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide (PubChem CID 3508725) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
PubChem CID3508725
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H20N2O3/c1-4-23-16-10-9-14(11-17(16)22-3)12-19-20-18(21)15-8-6-5-7-13(15)2/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyCAFLRARPSKCLQN-UHFFFAOYSA-N
XLogP3.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.17
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'}

Analyze N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide 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-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
[2-ethoxy-4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984343
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
CID 19060884
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide (CID 3508725) is N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide is CCOc1ccc(C=NNC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is CAFLRARPSKCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-16-10-9-14(11-17(16)22-3)12-19-20-18(21)15-8-6-5-7-13(15)2/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide?
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 3508725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).