3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide

C18H18N2O3 — CID 3582022

IUPAC3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
SMILESCOC(C=NNC(=O)c1cccc(OC)c1)=Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-16-10-6-9-15(12-16)18(21)20-19-13-17(23-2)11-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21)
InChIKeyHXHSDEZIXPHRFW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.10
Rot. Bonds6

About 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide

3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 3582022) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID3582022
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
SMILESCOC(C=NNC(=O)c1cccc(OC)c1)=Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-16-10-6-9-15(12-16)18(21)20-19-13-17(23-2)11-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21)
InChIKeyHXHSDEZIXPHRFW-UHFFFAOYSA-N
XLogP3.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate
CID 7027698
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide (CID 3582022) is 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide is COC(C=NNC(=O)c1cccc(OC)c1)=Cc1ccccc1.
What is the InChIKey of 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is HXHSDEZIXPHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-10-6-9-15(12-16)18(21)20-19-13-17(23-2)11-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide?
3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 3582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).