3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide

C31H27N3O3 — CID 135683326

IUPAC3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O
InChIInChI=1S/C31H27N3O3/c1-37-28-20-22(16-17-27(28)35)21-32-33-29(36)18-19-34-26-15-9-8-14-25(26)30(23-10-4-2-5-11-23)31(34)24-12-6-3-7-13-24/h2-17,20-21,35H,18-19H2,1H3,(H,33,36)/b32-21+
InChIKeyLGKRJMLZHPDOCO-RUMWWMSVSA-N
MW489.58 g/mol
LogP6.23
Rot. Bonds8

About 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide

3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 135683326) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
PubChem CID135683326
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O
InChIInChI=1S/C31H27N3O3/c1-37-28-20-22(16-17-27(28)35)21-32-33-29(36)18-19-34-26-15-9-8-14-25(26)30(23-10-4-2-5-11-23)31(34)24-12-6-3-7-13-24/h2-17,20-21,35H,18-19H2,1H3,(H,33,36)/b32-21+
InChIKeyLGKRJMLZHPDOCO-RUMWWMSVSA-N
XLogP6.23
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-(2,3-diphenylindol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135704666
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
CID 3111135
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 136757605
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
3-(5-methyl-2,3-diphenylindol-1-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 46299432
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-benzyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 137063527
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide (CID 135683326) is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide is COc1cc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O.
What is the InChIKey of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is LGKRJMLZHPDOCO-RUMWWMSVSA-N. The full InChI is InChI=1S/C31H27N3O3/c1-37-28-20-22(16-17-27(28)35)21-32-33-29(36)18-19-34-26-15-9-8-14-25(26)30(23-10-4-2-5-11-23)31(34)24-12-6-3-7-13-24/h2-17,20-21,35H,18-19H2,1H3,(H,33,36)/b32-21+.
What are the key properties of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 489.58 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135683326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).