3-methoxy-N-(1-phenylethylideneamino)benzamide

C16H16N2O2 — CID 955694

IUPAC3-methoxy-N-(1-phenylethylideneamino)benzamide
SMILESCOc1cccc(C(=O)NN=C(C)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-12(13-7-4-3-5-8-13)17-18-16(19)14-9-6-10-15(11-14)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyWESXYVHXEJNRNU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.85
Rot. Bonds4

About 3-methoxy-N-(1-phenylethylideneamino)benzamide

3-methoxy-N-(1-phenylethylideneamino)benzamide (PubChem CID 955694) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-N-(1-phenylethylideneamino)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(1-phenylethylideneamino)benzamide
PubChem CID955694
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methoxy-N-(1-phenylethylideneamino)benzamide
SMILESCOc1cccc(C(=O)NN=C(C)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-12(13-7-4-3-5-8-13)17-18-16(19)14-9-6-10-15(11-14)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyWESXYVHXEJNRNU-UHFFFAOYSA-N
XLogP2.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.85
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

3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-phenylethylideneamino)benzamide?
The IUPAC name of 3-methoxy-N-(1-phenylethylideneamino)benzamide (CID 955694) is 3-methoxy-N-(1-phenylethylideneamino)benzamide.
What is the SMILES notation for 3-methoxy-N-(1-phenylethylideneamino)benzamide?
The canonical SMILES for 3-methoxy-N-(1-phenylethylideneamino)benzamide is COc1cccc(C(=O)NN=C(C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-(1-phenylethylideneamino)benzamide?
The InChIKey is WESXYVHXEJNRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(13-7-4-3-5-8-13)17-18-16(19)14-9-6-10-15(11-14)20-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-methoxy-N-(1-phenylethylideneamino)benzamide?
3-methoxy-N-(1-phenylethylideneamino)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-phenylethylideneamino)benzamide is sourced from PubChem (CID 955694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).