(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one

C29H26N2O3 — CID 56934766

IUPAC(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
SMILESCOc1ccc(C[C@]2(N(O)c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H26N2O3/c1-34-25-18-16-22(17-19-25)20-29(31(33)24-12-6-3-7-13-24)26-14-8-9-15-27(26)30(28(29)32)21-23-10-4-2-5-11-23/h2-19,33H,20-21H2,1H3/t29-/m1/s1
InChIKeyJCSOPIZWQXORTO-GDLZYMKVSA-N
MW450.54 g/mol
LogP5.58
Rot. Bonds7

About (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one

(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one (PubChem CID 56934766) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
PubChem CID56934766
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
SMILESCOc1ccc(C[C@]2(N(O)c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H26N2O3/c1-34-25-18-16-22(17-19-25)20-29(31(33)24-12-6-3-7-13-24)26-14-8-9-15-27(26)30(28(29)32)21-23-10-4-2-5-11-23/h2-19,33H,20-21H2,1H3/t29-/m1/s1
InChIKeyJCSOPIZWQXORTO-GDLZYMKVSA-N
XLogP5.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-benzyl-3-[(4-bromophenyl)methyl]-3-(N-hydroxyanilino)indol-2-one
CID 56934764
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
CID 11014506
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010
1-benzyl-3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)indol-2-one
CID 46845600
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
1-benzyl-3-(4-methoxyanilino)-3-prop-2-ynylindol-2-one
CID 46845735
(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 102289299
ethyl (2S)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
CID 174800561
ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
CID 141451440
(2R)-1'-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180632

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one?
The IUPAC name of (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one (CID 56934766) is (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one?
The canonical SMILES for (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one is COc1ccc(C[C@]2(N(O)c3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one?
The InChIKey is JCSOPIZWQXORTO-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-34-25-18-16-22(17-19-25)20-29(31(33)24-12-6-3-7-13-24)26-14-8-9-15-27(26)30(28(29)32)21-23-10-4-2-5-11-23/h2-19,33H,20-21H2,1H3/t29-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one?
(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one has a molecular weight of 450.54 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one is sourced from PubChem (CID 56934766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).