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

C33H29N3O2 — CID 135613957

IUPAC3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O
InChIInChI=1S/C33H29N3O2/c1-2-12-26-17-11-18-27(33(26)38)23-34-35-30(37)21-22-36-29-20-10-9-19-28(29)31(24-13-5-3-6-14-24)32(36)25-15-7-4-8-16-25/h2-11,13-20,23,38H,1,12,21-22H2,(H,35,37)/b34-23+
InChIKeyOMTSXNFECRDDRR-PPFNPFNJSA-N
MW499.61 g/mol
LogP6.95
Rot. Bonds9

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

3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide (PubChem CID 135613957) has the molecular formula C33H29N3O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
PubChem CID135613957
Molecular FormulaC33H29N3O2
Molecular Weight499.61 g/mol
Exact Mass499.23
IUPAC Name3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O
InChIInChI=1S/C33H29N3O2/c1-2-12-26-17-11-18-27(33(26)38)23-34-35-30(37)21-22-36-29-20-10-9-19-28(29)31(24-13-5-3-6-14-24)32(36)25-15-7-4-8-16-25/h2-11,13-20,23,38H,1,12,21-22H2,(H,35,37)/b34-23+
InChIKeyOMTSXNFECRDDRR-PPFNPFNJSA-N
XLogP6.95
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methoxyphenyl)methylideneamino]propanamide
CID 45023018
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
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
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
CID 136847275
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137013176
3-(5-methyl-2,3-diphenylindol-1-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 46299432
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135957409

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide (CID 135613957) is 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide is C=CCc1cccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O.
What is the InChIKey of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
The InChIKey is OMTSXNFECRDDRR-PPFNPFNJSA-N. The full InChI is InChI=1S/C33H29N3O2/c1-2-12-26-17-11-18-27(33(26)38)23-34-35-30(37)21-22-36-29-20-10-9-19-28(29)31(24-13-5-3-6-14-24)32(36)25-15-7-4-8-16-25/h2-11,13-20,23,38H,1,12,21-22H2,(H,35,37)/b34-23+.
What are the key properties of 3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide?
3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide has a molecular weight of 499.61 g/mol, XLogP of 6.95, 9 rotatable bonds, 2 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)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135613957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).