N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine

C35H56N8O3 — CID 143970918

About N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine

N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine (PubChem CID 143970918) has the molecular formula C35H56N8O3 and a molecular weight of 636.89 g/mol. Its IUPAC name is N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine.

Molecular Properties

• Compound Name: N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine
• PubChem CID: 143970918
• Molecular Formula: C35H56N8O3
• Molecular Weight: 636.89 g/mol
• Exact Mass: 636.45
• IUPAC Name: N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine
• SMILES: NN.[H]/N=C(\N)CNC(=O)c1ccc(C(CCC(C)(C)C)N2C(=O)C(C(/C=N/C=C)=C/C(C)OC)=NC23CCC(C(C)C)CC3)cc1
• InChI: InChI=1S/C35H52N6O3.H4N2/c1-9-38-21-28(20-24(4)44-8)31-33(43)41(35(40-31)18-14-25(15-19-35)23(2)3)29(16-17-34(5,6)7)26-10-12-27(13-11-26)32(42)39-22-30(36)37;1-2/h9-13,20-21,23-25,29H,1,14-19,22H2,2-8H3,(H3,36,37)(H,39,42);1-2H2/b28-20+,38-21+
• InChIKey: IYEHDRTWWMDONJ-LLULGYTKSA-N
• XLogP: 5.04
• TPSA: 185.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.89
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine?

The IUPAC name of N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine (CID 143970918) is N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine.

What is the SMILES notation for N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine?

The canonical SMILES for N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine is NN.[H]/N=C(\N)CNC(=O)c1ccc(C(CCC(C)(C)C)N2C(=O)C(C(/C=N/C=C)=C/C(C)OC)=NC23CCC(C(C)C)CC3)cc1.

What is the InChIKey of N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine?

The InChIKey is IYEHDRTWWMDONJ-LLULGYTKSA-N. The full InChI is InChI=1S/C35H52N6O3.H4N2/c1-9-38-21-28(20-24(4)44-8)31-33(43)41(35(40-31)18-14-25(15-19-35)23(2)3)29(16-17-34(5,6)7)26-10-12-27(13-11-26)32(42)39-22-30(36)37;1-2/h9-13,20-21,23-25,29H,1,14-19,22H2,2-8H3,(H3,36,37)(H,39,42);1-2H2/b28-20+,38-21+;.

What are the key properties of N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine?

N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine has a molecular weight of 636.89 g/mol, XLogP of 5.04, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-iminoethyl)-4-[1-[2-[(E)-1-ethenylimino-4-methoxypent-2-en-2-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;hydrazine is sourced from PubChem (CID 143970918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).