5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide

C23H26N4O2 — CID 163231879

About 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231879) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 163231879
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
• SMILES: Cc1ccc(NC(=O)[C@@H](N)CN)cc1C(=O)N[C@@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C23H26N4O2/c1-14-10-11-17(27-23(29)21(25)13-24)12-20(14)22(28)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,21H,13,24-25H2,1-2H3,(H,26,28)(H,27,29)/t15-,21-/m0/s1
• InChIKey: TZRISTNGMUDUGZ-BTYIYWSLSA-N
• XLogP: 2.86
• TPSA: 110.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide (CID 163231879) is 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC(=O)[C@@H](N)CN)cc1C(=O)N[C@@H](C)c1cccc2ccccc12.

What is the InChIKey of 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is TZRISTNGMUDUGZ-BTYIYWSLSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-10-11-17(27-23(29)21(25)13-24)12-20(14)22(28)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,21H,13,24-25H2,1-2H3,(H,26,28)(H,27,29)/t15-,21-/m0/s1.

What are the key properties of 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).