N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide

C29H30N4O5 — CID 18936459

About N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 18936459) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide
• PubChem CID: 18936459
• Molecular Formula: C29H30N4O5
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.22
• IUPAC Name: N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide
• SMILES: COc1cc(C)cc(OC)c1N(CC(=O)Nc1ccccc1C)C(=O)CNC(=O)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C29H30N4O5/c1-18-13-24(37-3)28(25(14-18)38-4)33(17-26(34)32-21-11-7-5-9-19(21)2)27(35)16-30-29(36)23-15-20-10-6-8-12-22(20)31-23/h5-15,31H,16-17H2,1-4H3,(H,30,36)(H,32,34)
• InChIKey: LWGLYYDYDFPTHA-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 18936459) is N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide is COc1cc(C)cc(OC)c1N(CC(=O)Nc1ccccc1C)C(=O)CNC(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide?

The InChIKey is LWGLYYDYDFPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-18-13-24(37-3)28(25(14-18)38-4)33(17-26(34)32-21-11-7-5-9-19(21)2)27(35)16-30-29(36)23-15-20-10-6-8-12-22(20)31-23/h5-15,31H,16-17H2,1-4H3,(H,30,36)(H,32,34).

What are the key properties of N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide?

N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 18936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).