5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate

C95H94N6O15 — CID 163702015

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

5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (PubChem CID 163702015) has the molecular formula C95H94N6O15 and a molecular weight of 1559.82 g/mol. Its IUPAC name is 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

Molecular Properties

• Compound Name: 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• PubChem CID: 163702015
• Molecular Formula: C95H94N6O15
• Molecular Weight: 1559.82 g/mol
• Exact Mass: 1558.68
• IUPAC Name: 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.O=C(O)c1ccc2c(c1)CC(=O)N2CC1CC1
• InChI: InChI=1S/C31H32N2O4.C26H24N2O2.C14H15NO3.C13H13NO3.C11H10O3/c1-31(2,3)37-30(36)32-26-13-11-22(21-7-5-4-6-8-21)15-24(26)17-28(34)23-12-14-27-25(16-23)18-29(35)33(27)19-20-9-10-20;27-23-10-8-19(18-4-2-1-3-5-18)12-21(23)14-25(29)20-9-11-24-22(13-20)15-26(30)28(24)16-17-6-7-17;1-18-14(17)10-4-5-12-11(6-10)7-13(16)15(12)8-9-2-3-9;15-12-6-10-5-9(13(16)17)3-4-11(10)14(12)7-8-1-2-8;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-8,11-16,20H,9-10,17-19H2,1-3H3,(H,32,36);1-5,8-13,17H,6-7,14-16,27H2;4-6,9H,2-3,7-8H2,1H3;3-5,8H,1-2,6-7H2,(H,16,17);2-4H,5-6H2,1H3
• InChIKey: KBVLQIDQYFPOOM-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 286.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.82
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (CID 163702015) is 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

What is the SMILES notation for 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The canonical SMILES for 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CC1CC1.O=C(O)c1ccc2c(c1)CC(=O)N2CC1CC1.

What is the InChIKey of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The InChIKey is KBVLQIDQYFPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4.C26H24N2O2.C14H15NO3.C13H13NO3.C11H10O3/c1-31(2,3)37-30(36)32-26-13-11-22(21-7-5-4-6-8-21)15-24(26)17-28(34)23-12-14-27-25(16-23)18-29(35)33(27)19-20-9-10-20;27-23-10-8-19(18-4-2-1-3-5-18)12-21(23)14-25(29)20-9-11-24-22(13-20)15-26(30)28(24)16-17-6-7-17;1-18-14(17)10-4-5-12-11(6-10)7-13(16)15(12)8-9-2-3-9;15-12-6-10-5-9(13(16)17)3-4-11(10)14(12)7-8-1-2-8;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-8,11-16,20H,9-10,17-19H2,1-3H3,(H,32,36);1-5,8-13,17H,6-7,14-16,27H2;4-6,9H,2-3,7-8H2,1H3;3-5,8H,1-2,6-7H2,(H,16,17);2-4H,5-6H2,1H3.

What are the key properties of 5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate has a molecular weight of 1559.82 g/mol, XLogP of 15.68, 20 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-(cyclopropylmethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylic acid;methyl 1-(cyclopropylmethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is sourced from PubChem (CID 163702015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).