N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide

C25H23N5O6 — CID 172638818

About N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide (PubChem CID 172638818) has the molecular formula C25H23N5O6 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide
• PubChem CID: 172638818
• Molecular Formula: C25H23N5O6
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.16
• IUPAC Name: N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide
• SMILES: COc1ccc(NC(=O)Nc2ccc(OCC(=O)/N=N/c3c(O)[nH]c4ccc(OC)cc34)cc2)cc1
• InChI: InChI=1S/C25H23N5O6/c1-34-17-7-3-15(4-8-17)26-25(33)27-16-5-9-18(10-6-16)36-14-22(31)29-30-23-20-13-19(35-2)11-12-21(20)28-24(23)32/h3-13,28,32H,14H2,1-2H3,(H2,26,27,33)/b30-29+
• InChIKey: MNPUHZDUKJLXQO-QVIHXGFCSA-N
• XLogP: 5.22
• TPSA: 146.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide?

The IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide (CID 172638818) is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide.

What is the SMILES notation for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide?

The canonical SMILES for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide is COc1ccc(NC(=O)Nc2ccc(OCC(=O)/N=N/c3c(O)[nH]c4ccc(OC)cc34)cc2)cc1.

What is the InChIKey of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide?

The InChIKey is MNPUHZDUKJLXQO-QVIHXGFCSA-N. The full InChI is InChI=1S/C25H23N5O6/c1-34-17-7-3-15(4-8-17)26-25(33)27-16-5-9-18(10-6-16)36-14-22(31)29-30-23-20-13-19(35-2)11-12-21(20)28-24(23)32/h3-13,28,32H,14H2,1-2H3,(H2,26,27,33)/b30-29+.

What are the key properties of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide?

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide has a molecular weight of 489.49 g/mol, XLogP of 5.22, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide is sourced from PubChem (CID 172638818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).