5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

C76H84N8O12 — CID 163692290

IUPAC5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1
InChIInChI=1S/C33H37N3O5.C28H29N3O3.C15H18N2O4/c1-33(2,3)41-32(39)34-28-11-9-24(23-7-5-4-6-8-23)19-26(28)21-30(37)25-10-12-29-27(20-25)22-31(38)36(29)14-13-35-15-17-40-18-16-35;29-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-28(33)31(26)11-10-30-12-14-34-15-13-30;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,39);1-9,16-17H,10-15,18-19,29H2;1-2,9H,3-8,10H2,(H,19,20)
InChIKeyJTZKOCOJYNGEOM-UHFFFAOYSA-N
MW1301.55 g/mol
LogP9.54
Rot. Bonds19

About 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 163692290) has the molecular formula C76H84N8O12 and a molecular weight of 1301.55 g/mol. Its IUPAC name is 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
PubChem CID163692290
Molecular FormulaC76H84N8O12
Molecular Weight1301.55 g/mol
Exact Mass1300.62
IUPAC Name5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1
InChIInChI=1S/C33H37N3O5.C28H29N3O3.C15H18N2O4/c1-33(2,3)41-32(39)34-28-11-9-24(23-7-5-4-6-8-23)19-26(28)21-30(37)25-10-12-29-27(20-25)22-31(38)36(29)14-13-35-15-17-40-18-16-35;29-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-28(33)31(26)11-10-30-12-14-34-15-13-30;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,39);1-9,16-17H,10-15,18-19,29H2;1-2,9H,3-8,10H2,(H,19,20)
InChIKeyJTZKOCOJYNGEOM-UHFFFAOYSA-N
XLogP9.54
TPSA234.13 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.55
LogP ≤ 59.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic 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

2-aminoethanol;N-(2-hydroxyethyl)-1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid
CID 159280517
N-(2-hydroxyethyl)-1-methyl-1'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-2-oxospiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-5-[1-(methylamino)ethenyl]-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-2-one;1-methyl-1'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-5-(4-methylpiperazine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-methyl-1'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-2-oxospiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-1'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-2-oxospiro[indole-3,4'-piperidine]-5-carboxylic acid;N,N,1-trimethyl-1'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-2-oxospiro[indole-3,4'-piperidine]-5-carboxamide
CID 160248097
1-methyl-5-(4-methylpiperazine-1-carbonyl)-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-2-one;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid;1-methylpiperazine
CID 160933927
ditert-butyl 2-[5-methoxycarbonyl-4-methyl-2-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]phenyl]propanedioate;methyl 6-methyl-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate;6-methyl-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylic acid
CID 91337592
methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 157103865
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide;4-morpholin-4-ylbenzoic acid
CID 157415635
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N,N-diethyl-2,3-dihydroindole-5-carboxamide;tert-butyl 5-(diethylcarbamoyl)-2,3-dihydroindole-1-carboxylate;tert-butyl N-[(E)-2-[[5-(diethylcarbamoyl)-2,3-dihydroindol-1-yl]methyl]-3-fluoroprop-2-enyl]carbamate;N,N-diethyl-2,3-dihydro-1H-indole-5-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-5-carboxylic acid;hydrochloride
CID 157805004
1-O-tert-butyl 5-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,5-dicarboxylate;1-O-tert-butyl 5-O-methyl spiro[2H-indole-3,1'-cyclohexane]-1,5-dicarboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-5-carboxylic acid;1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-carboxylic acid
CID 157837503
tert-butyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;tert-butyl (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate;4-(2,5-dioxopyrrol-1-yl)benzoic acid;(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 158238070
methyl 2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate;2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylic acid
CID 158525649
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 159141514
8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-dimethylazanium;3-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]propyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;2-benzhydryloxyethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium;[1-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-hydroxypropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 159168631

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (CID 163692290) is 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.
What is the InChIKey of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is JTZKOCOJYNGEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5.C28H29N3O3.C15H18N2O4/c1-33(2,3)41-32(39)34-28-11-9-24(23-7-5-4-6-8-23)19-26(28)21-30(37)25-10-12-29-27(20-25)22-31(38)36(29)14-13-35-15-17-40-18-16-35;29-25-8-6-21(20-4-2-1-3-5-20)16-23(25)18-27(32)22-7-9-26-24(17-22)19-28(33)31(26)11-10-30-12-14-34-15-13-30;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,39);1-9,16-17H,10-15,18-19,29H2;1-2,9H,3-8,10H2,(H,19,20).
What are the key properties of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 1301.55 g/mol, XLogP of 9.54, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 163692290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).