N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide

C29H34N6O6 — CID 4505123

About N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide

N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide (PubChem CID 4505123) has the molecular formula C29H34N6O6 and a molecular weight of 562.63 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide.

Molecular Properties

• Compound Name: N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
• PubChem CID: 4505123
• Molecular Formula: C29H34N6O6
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.25
• IUPAC Name: N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
• SMILES: COc1ccc2c(c1)c(/N=N/C(=O)CCCC(=O)/N=N/c1c(O)n(C(C)C)c3ccc(OC)cc13)c(O)n2C(C)C
• InChI: InChI=1S/C29H34N6O6/c1-16(2)34-22-12-10-18(40-5)14-20(22)26(28(34)38)32-30-24(36)8-7-9-25(37)31-33-27-21-15-19(41-6)11-13-23(21)35(17(3)4)29(27)39/h10-17,38-39H,7-9H2,1-6H3/b32-30+,33-31+
• InChIKey: ZYLYBBOLKIRLBG-RRPBDJRISA-N
• XLogP: 7.28
• TPSA: 152.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide?

The IUPAC name of N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide (CID 4505123) is N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide.

What is the SMILES notation for N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide?

The canonical SMILES for N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide is COc1ccc2c(c1)c(/N=N/C(=O)CCCC(=O)/N=N/c1c(O)n(C(C)C)c3ccc(OC)cc13)c(O)n2C(C)C.

What is the InChIKey of N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide?

The InChIKey is ZYLYBBOLKIRLBG-RRPBDJRISA-N. The full InChI is InChI=1S/C29H34N6O6/c1-16(2)34-22-12-10-18(40-5)14-20(22)26(28(34)38)32-30-24(36)8-7-9-25(37)31-33-27-21-15-19(41-6)11-13-23(21)35(17(3)4)29(27)39/h10-17,38-39H,7-9H2,1-6H3/b32-30+,33-31+.

What are the key properties of N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide?

N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide has a molecular weight of 562.63 g/mol, XLogP of 7.28, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide is sourced from PubChem (CID 4505123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).