3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide

C30H34N4O4 — CID 42953197

About 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide (PubChem CID 42953197) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide
• PubChem CID: 42953197
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide
• SMILES: CCOc1ccc(C(CNC(=O)CC(NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC
• InChI: InChI=1S/C30H34N4O4/c1-4-38-27-14-13-20(15-28(27)37-3)23(24-18-32-25-12-8-7-11-22(24)25)17-33-29(35)16-26(34-30(31)36)21-10-6-5-9-19(21)2/h5-15,18,23,26,32H,4,16-17H2,1-3H3,(H,33,35)(H3,31,34,36)
• InChIKey: LKVHKDWSGIPRCW-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 118.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide?

The IUPAC name of 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide (CID 42953197) is 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide.

What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide?

The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide is CCOc1ccc(C(CNC(=O)CC(NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC.

What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide?

The InChIKey is LKVHKDWSGIPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-4-38-27-14-13-20(15-28(27)37-3)23(24-18-32-25-12-8-7-11-22(24)25)17-33-29(35)16-26(34-30(31)36)21-10-6-5-9-19(21)2/h5-15,18,23,26,32H,4,16-17H2,1-3H3,(H,33,35)(H3,31,34,36).

What are the key properties of 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide?

3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide has a molecular weight of 514.63 g/mol, XLogP of 4.93, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 42953197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).