N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide

C35H47ClN6O2 — CID 88905439

About N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (PubChem CID 88905439) has the molecular formula C35H47ClN6O2 and a molecular weight of 619.25 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide.

Molecular Properties

• Compound Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• PubChem CID: 88905439
• Molecular Formula: C35H47ClN6O2
• Molecular Weight: 619.25 g/mol
• Exact Mass: 618.34
• IUPAC Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• SMILES: Cc1cc(Cl)cc(C2=NC3(CCC(C4(C)CC4)CC3)N(C(CCC(C)(C)C)c3ccc(C(=O)NC/C(N)=N/N)cc3)C2=O)c1
• InChI: InChI=1S/C35H47ClN6O2/c1-22-18-25(20-27(36)19-22)30-32(44)42(35(40-30)14-10-26(11-15-35)34(5)16-17-34)28(12-13-33(2,3)4)23-6-8-24(9-7-23)31(43)39-21-29(37)41-38/h6-9,18-20,26,28H,10-17,21,38H2,1-5H3,(H2,37,41)(H,39,43)
• InChIKey: VEDCCCJFLIQGNI-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 126.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.25
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The IUPAC name of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (CID 88905439) is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide.

What is the SMILES notation for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The canonical SMILES for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is Cc1cc(Cl)cc(C2=NC3(CCC(C4(C)CC4)CC3)N(C(CCC(C)(C)C)c3ccc(C(=O)NC/C(N)=N/N)cc3)C2=O)c1.

What is the InChIKey of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The InChIKey is VEDCCCJFLIQGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47ClN6O2/c1-22-18-25(20-27(36)19-22)30-32(44)42(35(40-30)14-10-26(11-15-35)34(5)16-17-34)28(12-13-33(2,3)4)23-6-8-24(9-7-23)31(43)39-21-29(37)41-38/h6-9,18-20,26,28H,10-17,21,38H2,1-5H3,(H2,37,41)(H,39,43).

What are the key properties of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide has a molecular weight of 619.25 g/mol, XLogP of 6.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[2-(3-chloro-5-methylphenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is sourced from PubChem (CID 88905439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).