3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide

C19H22N2O3 — CID 9232703

IUPAC3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-14(9-10-15-7-5-4-6-8-15)20-21-19(22)16-11-12-17(23-2)18(13-16)24-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,22)/b20-14-
InChIKeyZTFXGJSYWXHUFD-ZHZULCJRSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds7

About 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide (PubChem CID 9232703) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
PubChem CID9232703
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-14(9-10-15-7-5-4-6-8-15)20-21-19(22)16-11-12-17(23-2)18(13-16)24-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,22)/b20-14-
InChIKeyZTFXGJSYWXHUFD-ZHZULCJRSA-N
XLogP3.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233501
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide (CID 9232703) is 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide is COc1ccc(C(=O)N/N=C(/C)CCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide?
The InChIKey is ZTFXGJSYWXHUFD-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(9-10-15-7-5-4-6-8-15)20-21-19(22)16-11-12-17(23-2)18(13-16)24-3/h4-8,11-13H,9-10H2,1-3H3,(H,21,22)/b20-14-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide is sourced from PubChem (CID 9232703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).