1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

C98H114N10O12 — CID 157459103

About 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 157459103) has the molecular formula C98H114N10O12 and a molecular weight of 1624.05 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
• PubChem CID: 157459103
• Molecular Formula: C98H114N10O12
• Molecular Weight: 1624.05 g/mol
• Exact Mass: 1622.86
• IUPAC Name: 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1
• InChI: InChI=1S/C25H29N3O3.C25H28N2O4.C24H29N3O2.C24H28N2O3/c1-4-31-20-11-12-21-22(15-29)24(28(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)27-25(30)26-16(2)3;1-4-30-20-11-12-21-22(15-28)24(27(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)26-25(29)31-16(2)3;1-4-29-21-12-9-19-13-22(27(23(19)14-21)15-17-5-6-17)18-7-10-20(11-8-18)26-24(28)25-16(2)3;1-4-28-21-12-9-19-13-22(26(23(19)14-21)15-17-5-6-17)18-7-10-20(11-8-18)25-24(27)29-16(2)3/h7-13,15-17H,4-6,14H2,1-3H3,(H2,26,27,30);7-13,15-17H,4-6,14H2,1-3H3,(H,26,29);7-14,16-17H,4-6,15H2,1-3H3,(H2,25,26,28);7-14,16-17H,4-6,15H2,1-3H3,(H,25,27)
• InChIKey: BTSDFYUAJXDEJF-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 249.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.05
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The IUPAC name of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 157459103) is 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.

What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The InChIKey is BTSDFYUAJXDEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C25H28N2O4.C24H29N3O2.C24H28N2O3/c1-4-31-20-11-12-21-22(15-29)24(28(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)27-25(30)26-16(2)3;1-4-30-20-11-12-21-22(15-28)24(27(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)26-25(29)31-16(2)3;1-4-29-21-12-9-19-13-22(27(23(19)14-21)15-17-5-6-17)18-7-10-20(11-8-18)26-24(28)25-16(2)3;1-4-28-21-12-9-19-13-22(26(23(19)14-21)15-17-5-6-17)18-7-10-20(11-8-18)25-24(27)29-16(2)3/h7-13,15-17H,4-6,14H2,1-3H3,(H2,26,27,30);7-13,15-17H,4-6,14H2,1-3H3,(H,26,29);7-14,16-17H,4-6,15H2,1-3H3,(H2,25,26,28);7-14,16-17H,4-6,15H2,1-3H3,(H,25,27).

What are the key properties of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?

1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 1624.05 g/mol, XLogP of 23.07, 30 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157459103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).