2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 19061075

IUPAC2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-22-16-9-6-8-15(12-16)13-19-20-18(21)17-10-5-4-7-14(17)2/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b19-13+
InChIKeyKQENGXHUNCTRHA-CPNJWEJPSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds6

About 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (PubChem CID 19061075) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
PubChem CID19061075
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-22-16-9-6-8-15(12-16)13-19-20-18(21)17-10-5-4-7-14(17)2/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b19-13+
InChIKeyKQENGXHUNCTRHA-CPNJWEJPSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
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

2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 1034803
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (CID 19061075) is 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is CCCOc1cccc(/C=N/NC(=O)c2ccccc2C)c1.
What is the InChIKey of 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is KQENGXHUNCTRHA-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-11-22-16-9-6-8-15(12-16)13-19-20-18(21)17-10-5-4-7-14(17)2/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 19061075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).