N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide

C18H20N2O4 — CID 4304772

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2ccc(C)cc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12-5-7-15(17(9-12)24-4)18(21)20-19-11-13-10-14(22-2)6-8-16(13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeySRNIMHIJAGWKKO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.78
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide

N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide (PubChem CID 4304772) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
PubChem CID4304772
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2ccc(C)cc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12-5-7-15(17(9-12)24-4)18(21)20-19-11-13-10-14(22-2)6-8-16(13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeySRNIMHIJAGWKKO-UHFFFAOYSA-N
XLogP2.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
CID 126109428
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 126090672
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 4304608
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6865551

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide (CID 4304772) is N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide is COc1ccc(OC)c(C=NNC(=O)c2ccc(C)cc2OC)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The InChIKey is SRNIMHIJAGWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-5-7-15(17(9-12)24-4)18(21)20-19-11-13-10-14(22-2)6-8-16(13)23-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 4304772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).