(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid

C34H34N2O4 — CID 174800557

IUPAC(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid
SMILESCC[C@](NC(c1ccccc1)c1ccccc1)(C(=O)O)C1(OCc2ccccc2C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C34H34N2O4/c1-4-33(32(38)39,35-30(25-16-7-5-8-17-25)26-18-9-6-10-19-26)34(40-23-27-20-12-11-15-24(27)2)28-21-13-14-22-29(28)36(3)31(34)37/h5-22,30,35H,4,23H2,1-3H3,(H,38,39)/t33-,34?/m0/s1
InChIKeySVHDAWDSKVFGLP-CDRRMRQFSA-N
MW534.66 g/mol
LogP6.00
Rot. Bonds10

About (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid

(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid (PubChem CID 174800557) has the molecular formula C34H34N2O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid
PubChem CID174800557
Molecular FormulaC34H34N2O4
Molecular Weight534.66 g/mol
Exact Mass534.25
IUPAC Name(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid
SMILESCC[C@](NC(c1ccccc1)c1ccccc1)(C(=O)O)C1(OCc2ccccc2C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C34H34N2O4/c1-4-33(32(38)39,35-30(25-16-7-5-8-17-25)26-18-9-6-10-19-26)34(40-23-27-20-12-11-15-24(27)2)28-21-13-14-22-29(28)36(3)31(34)37/h5-22,30,35H,4,23H2,1-3H3,(H,38,39)/t33-,34?/m0/s1
InChIKeySVHDAWDSKVFGLP-CDRRMRQFSA-N
XLogP6.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(benzhydrylamino)-2-[1-benzyl-5-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid
CID 174933916
2-(benzhydrylamino)-2-[1-benzyl-2-oxo-3-(thiophen-2-ylmethoxy)indol-3-yl]butanoic acid
CID 174800568
ethyl 2-(benzhydrylamino)-2-[1-benzyl-5-chloro-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]acetate
CID 174800563
ethyl (2S)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-6-chloro-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]acetate
CID 174933907
ethyl (3R)-1-methyl-2-oxo-3-(2-oxo-1,2-diphenylethyl)indole-3-carboxylate
CID 102434104
2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102422036
2-(benzhydrylamino)-2-methylpropanoic acid
CID 174216539
5-O'-ethyl 3-O'-methyl (3R)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215547
N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
CID 11197628
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808
ethyl (2'S,3S)-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxylate
CID 102223024
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid?
The IUPAC name of (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid (CID 174800557) is (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid?
The canonical SMILES for (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid is CC[C@](NC(c1ccccc1)c1ccccc1)(C(=O)O)C1(OCc2ccccc2C)C(=O)N(C)c2ccccc21.
What is the InChIKey of (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid?
The InChIKey is SVHDAWDSKVFGLP-CDRRMRQFSA-N. The full InChI is InChI=1S/C34H34N2O4/c1-4-33(32(38)39,35-30(25-16-7-5-8-17-25)26-18-9-6-10-19-26)34(40-23-27-20-12-11-15-24(27)2)28-21-13-14-22-29(28)36(3)31(34)37/h5-22,30,35H,4,23H2,1-3H3,(H,38,39)/t33-,34?/m0/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid?
(2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid has a molecular weight of 534.66 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-2-[1-methyl-3-[(2-methylphenyl)methoxy]-2-oxoindol-3-yl]butanoic acid is sourced from PubChem (CID 174800557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).