N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide

C18H20N2O2 — CID 75459911

IUPACN-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
SMILESCOc1cc(C)ccc1/C(C)=N/NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-12-9-10-16(17(11-12)22-4)14(3)19-20-18(21)15-8-6-5-7-13(15)2/h5-11H,1-4H3,(H,20,21)/b19-14+
InChIKeyOOUXQEBKFGFVQO-XMHGGMMESA-N
MW296.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide

N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide (PubChem CID 75459911) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
PubChem CID75459911
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
SMILESCOc1cc(C)ccc1/C(C)=N/NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-12-9-10-16(17(11-12)22-4)14(3)19-20-18(21)15-8-6-5-7-13(15)2/h5-11H,1-4H3,(H,20,21)/b19-14+
InChIKeyOOUXQEBKFGFVQO-XMHGGMMESA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 7985057
[2-[N-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 4536105
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide (CID 75459911) is N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide is COc1cc(C)ccc1/C(C)=N/NC(=O)c1ccccc1C.
What is the InChIKey of N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide?
The InChIKey is OOUXQEBKFGFVQO-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-9-10-16(17(11-12)22-4)14(3)19-20-18(21)15-8-6-5-7-13(15)2/h5-11H,1-4H3,(H,20,21)/b19-14+.
What are the key properties of N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide?
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide is sourced from PubChem (CID 75459911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).