(2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide

C31H32N4O — CID 67722966

About (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide

(2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide (PubChem CID 67722966) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide.

Molecular Properties

• Compound Name: (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide
• PubChem CID: 67722966
• Molecular Formula: C31H32N4O
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.26
• IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide
• SMILES: C[C@@](Cc1cnc[nH]1)(NCC(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(N)=O
• InChI: InChI=1S/C31H32N4O/c1-31(30(32)36,18-27-20-33-21-34-27)35-19-22(16-25-12-6-10-23-8-2-4-14-28(23)25)17-26-13-7-11-24-9-3-5-15-29(24)26/h2-15,20-22,35H,16-19H2,1H3,(H2,32,36)(H,33,34)/t31-/m0/s1
• InChIKey: PJVQZKWDDMHMPF-HKBQPEDESA-N
• XLogP: 5.19
• TPSA: 83.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide?

The IUPAC name of (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide (CID 67722966) is (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide.

What is the SMILES notation for (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide?

The canonical SMILES for (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide is C[C@@](Cc1cnc[nH]1)(NCC(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(N)=O.

What is the InChIKey of (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide?

The InChIKey is PJVQZKWDDMHMPF-HKBQPEDESA-N. The full InChI is InChI=1S/C31H32N4O/c1-31(30(32)36,18-27-20-33-21-34-27)35-19-22(16-25-12-6-10-23-8-2-4-14-28(23)25)17-26-13-7-11-24-9-3-5-15-29(24)26/h2-15,20-22,35H,16-19H2,1H3,(H2,32,36)(H,33,34)/t31-/m0/s1.

What are the key properties of (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide?

(2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide has a molecular weight of 476.62 g/mol, XLogP of 5.19, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide is sourced from PubChem (CID 67722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).