6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide

C29H34N4O4 — CID 89163599

About 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide

6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide (PubChem CID 89163599) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

• Compound Name: 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide
• PubChem CID: 89163599
• Molecular Formula: C29H34N4O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.26
• IUPAC Name: 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide
• SMILES: O=C(CCCCCNC(=O)[C@H](CC1CNc2ccccc21)NC(=O)Cc1ccc2ccccc2c1)NO
• InChI: InChI=1S/C29H34N4O4/c34-27(33-37)12-2-1-7-15-30-29(36)26(18-23-19-31-25-11-6-5-10-24(23)25)32-28(35)17-20-13-14-21-8-3-4-9-22(21)16-20/h3-6,8-11,13-14,16,23,26,31,37H,1-2,7,12,15,17-19H2,(H,30,36)(H,32,35)(H,33,34)/t23?,26-/m0/s1
• InChIKey: MMRGASYTMKGKFJ-NASUQTAISA-N
• XLogP: 3.65
• TPSA: 119.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide?

The IUPAC name of 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide (CID 89163599) is 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide.

What is the SMILES notation for 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide?

The canonical SMILES for 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide is O=C(CCCCCNC(=O)[C@H](CC1CNc2ccccc21)NC(=O)Cc1ccc2ccccc2c1)NO.

What is the InChIKey of 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide?

The InChIKey is MMRGASYTMKGKFJ-NASUQTAISA-N. The full InChI is InChI=1S/C29H34N4O4/c34-27(33-37)12-2-1-7-15-30-29(36)26(18-23-19-31-25-11-6-5-10-24(23)25)32-28(35)17-20-13-14-21-8-3-4-9-22(21)16-20/h3-6,8-11,13-14,16,23,26,31,37H,1-2,7,12,15,17-19H2,(H,30,36)(H,32,35)(H,33,34)/t23?,26-/m0/s1.

What are the key properties of 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide?

6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide has a molecular weight of 502.62 g/mol, XLogP of 3.65, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2S)-3-(2,3-dihydro-1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]propanoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 89163599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).