2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide

C22H20N2O4 — CID 92923619

IUPAC2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@@](O)(CC(=O)/C=C/C=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H20N2O4/c23-20(26)15-24-19-13-7-6-12-18(19)22(28,21(24)27)14-17(25)11-5-4-10-16-8-2-1-3-9-16/h1-13,28H,14-15H2,(H2,23,26)/b10-4-,11-5+/t22-/m1/s1
InChIKeyPQZYANFNYHRHDF-IISDVSGHSA-N
MW376.41 g/mol
LogP1.93
Rot. Bonds7

About 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide

2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide (PubChem CID 92923619) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide
PubChem CID92923619
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@@](O)(CC(=O)/C=C/C=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H20N2O4/c23-20(26)15-24-19-13-7-6-12-18(19)22(28,21(24)27)14-17(25)11-5-4-10-16-8-2-1-3-9-16/h1-13,28H,14-15H2,(H2,23,26)/b10-4-,11-5+/t22-/m1/s1
InChIKeyPQZYANFNYHRHDF-IISDVSGHSA-N
XLogP1.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-methyl-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
CID 2914014
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one
CID 27523916
1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
CID 3487364
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-propylindol-2-one
CID 4209086
3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one
CID 44784660
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-prop-2-ynylindol-2-one
CID 3677494
(3R)-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one
CID 41145256
(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(Z)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 2364476
5-bromo-3-hydroxy-3-(2-oxo-6-phenylhexa-3,5-dienyl)-1-prop-2-ynylindol-2-one
CID 3366863
2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 796065
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
2-[(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 1289823

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide (CID 92923619) is 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide is NC(=O)CN1C(=O)[C@@](O)(CC(=O)/C=C/C=C\c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide?
The InChIKey is PQZYANFNYHRHDF-IISDVSGHSA-N. The full InChI is InChI=1S/C22H20N2O4/c23-20(26)15-24-19-13-7-6-12-18(19)22(28,21(24)27)14-17(25)11-5-4-10-16-8-2-1-3-9-16/h1-13,28H,14-15H2,(H2,23,26)/b10-4-,11-5+/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide?
2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide has a molecular weight of 376.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-2-oxo-3-[(3E,5Z)-2-oxo-6-phenylhexa-3,5-dienyl]indol-1-yl]acetamide is sourced from PubChem (CID 92923619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).