CID 135016220

C₂₄H₃₇N₂O₅ — CID 135016220

About CID 135016220

CID 135016220 (PubChem CID 135016220) has the molecular formula C₂₄H₃₇N₂O₅ and a molecular weight of 433.57 g/mol.

Molecular Properties

• Compound Name: CID 135016220
• PubChem CID: 135016220
• Molecular Formula: C₂₄H₃₇N₂O₅
• Molecular Weight: 433.57 g/mol
• Exact Mass: 433.27
• IUPAC Name: —
• SMILES: CCCCCC[C@H](C)[C@@H](OC(=O)[C@H](C)[NH])[C@@H](C)C(=O)NCC(=O)OCc1ccccc1
• InChI: InChI=1S/C24H37N2O5/c1-5-6-7-9-12-17(2)22(31-24(29)19(4)25)18(3)23(28)26-15-21(27)30-16-20-13-10-8-11-14-20/h8,10-11,13-14,17-19,22,25H,5-7,9,12,15-16H2,1-4H3,(H,26,28)/t17-,18+,19-,22+/m0/s1
• InChIKey: WGTTWTVEVFFMCM-LMVRJCEZSA-N
• XLogP: 3.67
• TPSA: 105.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.57
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 135016220?

The IUPAC name of CID 135016220 (CID 135016220) is not available.

What is the SMILES notation for CID 135016220?

The canonical SMILES for CID 135016220 is CCCCCC[C@H](C)[C@@H](OC(=O)[C@H](C)[NH])[C@@H](C)C(=O)NCC(=O)OCc1ccccc1.

What is the InChIKey of CID 135016220?

The InChIKey is WGTTWTVEVFFMCM-LMVRJCEZSA-N. The full InChI is InChI=1S/C24H37N2O5/c1-5-6-7-9-12-17(2)22(31-24(29)19(4)25)18(3)23(28)26-15-21(27)30-16-20-13-10-8-11-14-20/h8,10-11,13-14,17-19,22,25H,5-7,9,12,15-16H2,1-4H3,(H,26,28)/t17-,18+,19-,22+/m0/s1.

What are the key properties of CID 135016220?

CID 135016220 has a molecular weight of 433.57 g/mol, XLogP of 3.67, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 135016220 is sourced from PubChem (CID 135016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135016220 — identifiers, structure, computed properties (public domain)

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