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

C31H27N3O2 — CID 45023018

IUPAC3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C31H27N3O2/c1-36-26-18-16-23(17-19-26)22-32-33-29(35)20-21-34-28-15-9-8-14-27(28)30(24-10-4-2-5-11-24)31(34)25-12-6-3-7-13-25/h2-19,22H,20-21H2,1H3,(H,33,35)/b32-22+
InChIKeyPEICXAUJIIOOOL-WEMUVCOSSA-N
MW473.58 g/mol
LogP6.52
Rot. Bonds8

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

3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 45023018) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
PubChem CID45023018
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C31H27N3O2/c1-36-26-18-16-23(17-19-26)22-32-33-29(35)20-21-34-28-15-9-8-14-27(28)30(24-10-4-2-5-11-24)31(34)25-12-6-3-7-13-25/h2-19,22H,20-21H2,1H3,(H,33,35)/b32-22+
InChIKeyPEICXAUJIIOOOL-WEMUVCOSSA-N
XLogP6.52
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.52
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

N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
CID 3111135
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135683326
3-(2,3-diphenylindol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135704666
3-(benzotriazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5424041
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
3-(5-methyl-2,3-diphenylindol-1-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 46299432
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 10251061
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
1-carbazol-9-yl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]ethanone
CID 24864633
methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
CID 6864320

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (CID 45023018) is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is PEICXAUJIIOOOL-WEMUVCOSSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-36-26-18-16-23(17-19-26)22-32-33-29(35)20-21-34-28-15-9-8-14-27(28)30(24-10-4-2-5-11-24)31(34)25-12-6-3-7-13-25/h2-19,22H,20-21H2,1H3,(H,33,35)/b32-22+.
What are the key properties of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 473.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 45023018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).