N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide

C32H40N6O4 — CID 4502441

About N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide

N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide (PubChem CID 4502441) has the molecular formula C32H40N6O4 and a molecular weight of 572.71 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide.

Molecular Properties

• Compound Name: N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
• PubChem CID: 4502441
• Molecular Formula: C32H40N6O4
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.31
• IUPAC Name: N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
• SMILES: CCCCCn1c(O)c(/N=N/C(=O)CCC(=O)/N=N/c2c(O)n(CCCCC)c3ccc(C)cc23)c2cc(C)ccc21
• InChI: InChI=1S/C32H40N6O4/c1-5-7-9-17-37-25-13-11-21(3)19-23(25)29(31(37)41)35-33-27(39)15-16-28(40)34-36-30-24-20-22(4)12-14-26(24)38(32(30)42)18-10-8-6-2/h11-14,19-20,41-42H,5-10,15-18H2,1-4H3/b35-33+,36-34+
• InChIKey: QBHAMIIUGWISGL-LBYUQGKWSA-N
• XLogP: 8.71
• TPSA: 133.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methyl-1-pentylindol-3-yl)imino]butanediamide?

The IUPAC name of N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide (CID 4502441) is N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide.

What is the SMILES notation for N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide?

The canonical SMILES for N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide is CCCCCn1c(O)c(/N=N/C(=O)CCC(=O)/N=N/c2c(O)n(CCCCC)c3ccc(C)cc23)c2cc(C)ccc21.

What is the InChIKey of N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide?

The InChIKey is QBHAMIIUGWISGL-LBYUQGKWSA-N. The full InChI is InChI=1S/C32H40N6O4/c1-5-7-9-17-37-25-13-11-21(3)19-23(25)29(31(37)41)35-33-27(39)15-16-28(40)34-36-30-24-20-22(4)12-14-26(24)38(32(30)42)18-10-8-6-2/h11-14,19-20,41-42H,5-10,15-18H2,1-4H3/b35-33+,36-34+.

What are the key properties of N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide?

N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide has a molecular weight of 572.71 g/mol, XLogP of 8.71, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide is sourced from PubChem (CID 4502441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).