(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide

C30H34N2O — CID 93114906

About (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide

(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 93114906) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 93114906
• Molecular Formula: C30H34N2O
• Molecular Weight: 438.62 g/mol
• Exact Mass: 438.27
• IUPAC Name: (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
• SMILES: CC[C@H](C)NC(=O)C[C@H](c1cccc(C)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12
• InChI: InChI=1S/C30H34N2O/c1-5-23(4)31-30(33)18-27(25-10-8-9-22(3)17-25)28-20-32(29-12-7-6-11-26(28)29)19-24-15-13-21(2)14-16-24/h6-17,20,23,27H,5,18-19H2,1-4H3,(H,31,33)/t23-,27+/m0/s1
• InChIKey: YYGCYYGZXHSXQZ-WNCULLNHSA-N
• XLogP: 6.74
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.62
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?

The IUPAC name of (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide (CID 93114906) is (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide.

What is the SMILES notation for (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?

The canonical SMILES for (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide is CC[C@H](C)NC(=O)C[C@H](c1cccc(C)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12.

What is the InChIKey of (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?

The InChIKey is YYGCYYGZXHSXQZ-WNCULLNHSA-N. The full InChI is InChI=1S/C30H34N2O/c1-5-23(4)31-30(33)18-27(25-10-8-9-22(3)17-25)28-20-32(29-12-7-6-11-26(28)29)19-24-15-13-21(2)14-16-24/h6-17,20,23,27H,5,18-19H2,1-4H3,(H,31,33)/t23-,27+/m0/s1.

What are the key properties of (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?

(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 438.62 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 93114906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).