3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide

C18H20N2O2 — CID 4152734

IUPAC3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-13(2)17(14-8-5-4-6-9-14)19-20-18(21)15-10-7-11-16(12-15)22-3/h4-13H,1-3H3,(H,20,21)
InChIKeyDBNHJSQKPVUMIZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds5

About 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide

3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide (PubChem CID 4152734) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
PubChem CID4152734
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-13(2)17(14-8-5-4-6-9-14)19-20-18(21)15-10-7-11-16(12-15)22-3/h4-13H,1-3H3,(H,20,21)
InChIKeyDBNHJSQKPVUMIZ-UHFFFAOYSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
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

3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 6314277
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 4183626

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The IUPAC name of 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide (CID 4152734) is 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide is COc1cccc(C(=O)NN=C(c2ccccc2)C(C)C)c1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The InChIKey is DBNHJSQKPVUMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(2)17(14-8-5-4-6-9-14)19-20-18(21)15-10-7-11-16(12-15)22-3/h4-13H,1-3H3,(H,20,21).
What are the key properties of 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide is sourced from PubChem (CID 4152734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).