ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate

C40H38N2O5 — CID 141451440

IUPACethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
SMILESCCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@]1(OCc2ccc(OC)cc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C40H38N2O5/c1-3-46-38(43)37(41-36(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40(47-28-30-23-25-33(45-2)26-24-30)34-21-13-14-22-35(34)42(39(40)44)27-29-15-7-4-8-16-29/h4-26,36-37,41H,3,27-28H2,1-2H3/t37-,40-/m0/s1
InChIKeyMJVXPLUMVRNFEB-DFUITMLUSA-N
MW626.75 g/mol
LogP6.97
Rot. Bonds13

About ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate

ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate (PubChem CID 141451440) has the molecular formula C40H38N2O5 and a molecular weight of 626.75 g/mol. Its IUPAC name is ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
PubChem CID141451440
Molecular FormulaC40H38N2O5
Molecular Weight626.75 g/mol
Exact Mass626.28
IUPAC Nameethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
SMILESCCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@]1(OCc2ccc(OC)cc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C40H38N2O5/c1-3-46-38(43)37(41-36(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40(47-28-30-23-25-33(45-2)26-24-30)34-21-13-14-22-35(34)42(39(40)44)27-29-15-7-4-8-16-29/h4-26,36-37,41H,3,27-28H2,1-2H3/t37-,40-/m0/s1
InChIKeyMJVXPLUMVRNFEB-DFUITMLUSA-N
XLogP6.97
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.75
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate 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

ethyl (2S)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate
CID 174800561
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
(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
CID 56934766
N-[1-[(3R)-1-benzyl-3-chloro-2-oxoindol-3-yl]-2-(4-methoxyphenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 102496463
(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
CID 102343309
1-benzyl-3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)indol-2-one
CID 46845600
ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
methyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-3-phenylpropanoate
CID 122634776
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate?
The IUPAC name of ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate (CID 141451440) is ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate?
The canonical SMILES for ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate is CCOC(=O)[C@H](NC(c1ccccc1)c1ccccc1)[C@]1(OCc2ccc(OC)cc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate?
The InChIKey is MJVXPLUMVRNFEB-DFUITMLUSA-N. The full InChI is InChI=1S/C40H38N2O5/c1-3-46-38(43)37(41-36(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40(47-28-30-23-25-33(45-2)26-24-30)34-21-13-14-22-35(34)42(39(40)44)27-29-15-7-4-8-16-29/h4-26,36-37,41H,3,27-28H2,1-2H3/t37-,40-/m0/s1.
What are the key properties of ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate?
ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate has a molecular weight of 626.75 g/mol, XLogP of 6.97, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(benzhydrylamino)-2-[(3S)-1-benzyl-3-[(4-methoxyphenyl)methoxy]-2-oxoindol-3-yl]acetate is sourced from PubChem (CID 141451440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).