(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide

C29H41N3O2 — CID 93123831

About (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide

(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 93123831) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
• PubChem CID: 93123831
• Molecular Formula: C29H41N3O2
• Molecular Weight: 463.67 g/mol
• Exact Mass: 463.32
• IUPAC Name: (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
• SMILES: CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCCN(CC)CC)c3ccccc3OC)c[nH]c12
• InChI: InChI=1S/C29H41N3O2/c1-6-22-14-11-16-24-26(20-30-29(22)24)25(23-15-9-10-17-27(23)34-5)19-28(33)31-21(4)13-12-18-32(7-2)8-3/h9-11,14-17,20-21,25,30H,6-8,12-13,18-19H2,1-5H3,(H,31,33)/t21-,25-/m0/s1
• InChIKey: JWCJNCSVUDJIQL-OFVILXPXSA-N
• XLogP: 5.89
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide?

The IUPAC name of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide (CID 93123831) is (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide.

What is the SMILES notation for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide?

The canonical SMILES for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide is CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCCN(CC)CC)c3ccccc3OC)c[nH]c12.

What is the InChIKey of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide?

The InChIKey is JWCJNCSVUDJIQL-OFVILXPXSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-6-22-14-11-16-24-26(20-30-29(22)24)25(23-15-9-10-17-27(23)34-5)19-28(33)31-21(4)13-12-18-32(7-2)8-3/h9-11,14-17,20-21,25,30H,6-8,12-13,18-19H2,1-5H3,(H,31,33)/t21-,25-/m0/s1.

What are the key properties of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide?

(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 463.67 g/mol, XLogP of 5.89, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 93123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).