3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide

C28H29ClN4O3 — CID 67534661

About 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide

3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 67534661) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide
• PubChem CID: 67534661
• Molecular Formula: C28H29ClN4O3
• Molecular Weight: 505.02 g/mol
• Exact Mass: 504.19
• IUPAC Name: 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide
• SMILES: COc1ccc2c(CCN(CC(=O)N(c3ccccc3)c3ccccc3Cl)C(=O)CCN)c[nH]c2c1
• InChI: InChI=1S/C28H29ClN4O3/c1-36-22-11-12-23-20(18-31-25(23)17-22)14-16-32(27(34)13-15-30)19-28(35)33(21-7-3-2-4-8-21)26-10-6-5-9-24(26)29/h2-12,17-18,31H,13-16,19,30H2,1H3
• InChIKey: RUGREWRYOJMHDK-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 91.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.02
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide?

The IUPAC name of 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 67534661) is 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide?

The canonical SMILES for 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide is COc1ccc2c(CCN(CC(=O)N(c3ccccc3)c3ccccc3Cl)C(=O)CCN)c[nH]c2c1.

What is the InChIKey of 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide?

The InChIKey is RUGREWRYOJMHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-36-22-11-12-23-20(18-31-25(23)17-22)14-16-32(27(34)13-15-30)19-28(35)33(21-7-3-2-4-8-21)26-10-6-5-9-24(26)29/h2-12,17-18,31H,13-16,19,30H2,1H3.

What are the key properties of 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide?

3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 505.02 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(N-(2-chlorophenyl)anilino)-2-oxoethyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 67534661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).