(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide

C28H38ClN3O — CID 93122210

About (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide

(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide (PubChem CID 93122210) has the molecular formula C28H38ClN3O and a molecular weight of 468.09 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
• PubChem CID: 93122210
• Molecular Formula: C28H38ClN3O
• Molecular Weight: 468.09 g/mol
• Exact Mass: 467.27
• IUPAC Name: (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
• SMILES: CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCCN(CC)CC)c3ccc(Cl)cc3)c[nH]c12
• InChI: InChI=1S/C28H38ClN3O/c1-5-21-11-8-12-24-26(19-30-28(21)24)25(22-13-15-23(29)16-14-22)18-27(33)31-20(4)10-9-17-32(6-2)7-3/h8,11-16,19-20,25,30H,5-7,9-10,17-18H2,1-4H3,(H,31,33)/t20-,25-/m0/s1
• InChIKey: PQWSANHAXWLOAR-CPJSRVTESA-N
• XLogP: 6.53
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.09
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide?

The IUPAC name of (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide (CID 93122210) is (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide.

What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide?

The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide is CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCCN(CC)CC)c3ccc(Cl)cc3)c[nH]c12.

What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide?

The InChIKey is PQWSANHAXWLOAR-CPJSRVTESA-N. The full InChI is InChI=1S/C28H38ClN3O/c1-5-21-11-8-12-24-26(19-30-28(21)24)25(22-13-15-23(29)16-14-22)18-27(33)31-20(4)10-9-17-32(6-2)7-3/h8,11-16,19-20,25,30H,5-7,9-10,17-18H2,1-4H3,(H,31,33)/t20-,25-/m0/s1.

What are the key properties of (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide?

(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide has a molecular weight of 468.09 g/mol, XLogP of 6.53, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 93122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).