3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide

C18H16N2O4 — CID 6027685

IUPAC3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2/CC(=O)c3ccccc32)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-16-8-7-11(9-17(16)24-2)18(22)20-19-14-10-15(21)13-6-4-3-5-12(13)14/h3-9H,10H2,1-2H3,(H,20,22)/b19-14-
InChIKeyFYFQGTXGBKZXBG-RGEXLXHISA-N
MW324.34 g/mol
LogP2.42
Rot. Bonds4

About 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide

3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide (PubChem CID 6027685) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
PubChem CID6027685
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2/CC(=O)c3ccccc32)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-16-8-7-11(9-17(16)24-2)18(22)20-19-14-10-15(21)13-6-4-3-5-12(13)14/h3-9H,10H2,1-2H3,(H,20,22)/b19-14-
InChIKeyFYFQGTXGBKZXBG-RGEXLXHISA-N
XLogP2.42
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
CID 4923492
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 6219188
N'-(3,4-dimethoxybenzoyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 25393836
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide
CID 2387636
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide (CID 6027685) is 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide is COc1ccc(C(=O)N/N=C2/CC(=O)c3ccccc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide?
The InChIKey is FYFQGTXGBKZXBG-RGEXLXHISA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-16-8-7-11(9-17(16)24-2)18(22)20-19-14-10-15(21)13-6-4-3-5-12(13)14/h3-9H,10H2,1-2H3,(H,20,22)/b19-14-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide?
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 6027685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).