N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide

C32H35N3O3 — CID 3264309

About N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 3264309) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
• PubChem CID: 3264309
• Molecular Formula: C32H35N3O3
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.27
• IUPAC Name: N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
• SMILES: CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)Cc2ccccc2)C2CC2)cc1
• InChI: InChI=1S/C32H35N3O3/c1-2-38-28-16-12-25(13-17-28)22-34(19-18-26-21-33-30-11-7-6-10-29(26)30)32(37)23-35(27-14-15-27)31(36)20-24-8-4-3-5-9-24/h3-13,16-17,21,27,33H,2,14-15,18-20,22-23H2,1H3
• InChIKey: IYFFSLMQJWSZIA-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?

The IUPAC name of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 3264309) is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?

The canonical SMILES for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide is CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)Cc2ccccc2)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?

The InChIKey is IYFFSLMQJWSZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-2-38-28-16-12-25(13-17-28)22-34(19-18-26-21-33-30-11-7-6-10-29(26)30)32(37)23-35(27-14-15-27)31(36)20-24-8-4-3-5-9-24/h3-13,16-17,21,27,33H,2,14-15,18-20,22-23H2,1H3.

What are the key properties of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 509.65 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 3264309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).