4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide

C25H22N4O3 — CID 135614167

IUPAC4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C25H22N4O3/c1-16(30)27-19-10-8-18(9-11-19)25(31)29-26-15-22-21-14-20(32-2)12-13-23(21)28-24(22)17-6-4-3-5-7-17/h3-15,28H,1-2H3,(H,27,30)(H,29,31)/b26-15+
InChIKeyMUROUABVLIWYES-CVKSISIWSA-N
MW426.48 g/mol
LogP4.57
Rot. Bonds6

About 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide

4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135614167) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135614167
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C25H22N4O3/c1-16(30)27-19-10-8-18(9-11-19)25(31)29-26-15-22-21-14-20(32-2)12-13-23(21)28-24(22)17-6-4-3-5-7-17/h3-15,28H,1-2H3,(H,27,30)(H,29,31)/b26-15+
InChIKeyMUROUABVLIWYES-CVKSISIWSA-N
XLogP4.57
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
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

3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
CID 137029695
N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 155807222
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
(6S)-6-tert-butyl-2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137085913
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411
3-nitro-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135590888

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135614167) is 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide is COc1ccc2[nH]c(-c3ccccc3)c(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c2c1.
What is the InChIKey of 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is MUROUABVLIWYES-CVKSISIWSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16(30)27-19-10-8-18(9-11-19)25(31)29-26-15-22-21-14-20(32-2)12-13-23(21)28-24(22)17-6-4-3-5-7-17/h3-15,28H,1-2H3,(H,27,30)(H,29,31)/b26-15+.
What are the key properties of 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135614167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).