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

C34H44Cl2N6O2 — CID 58353244

About N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (PubChem CID 58353244) has the molecular formula C34H44Cl2N6O2 and a molecular weight of 639.67 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• PubChem CID: 58353244
• Molecular Formula: C34H44Cl2N6O2
• Molecular Weight: 639.67 g/mol
• Exact Mass: 638.29
• IUPAC Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• SMILES: CC(C)(C)CC[C@H](c1ccc(C(=O)NC/C(N)=N/N)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C1(C)CC1)CC2
• InChI: InChI=1S/C34H44Cl2N6O2/c1-32(2,3)12-11-27(21-5-7-22(8-6-21)30(43)39-20-28(37)41-38)42-31(44)29(23-17-25(35)19-26(36)18-23)40-34(42)13-9-24(10-14-34)33(4)15-16-33/h5-8,17-19,24,27H,9-16,20,38H2,1-4H3,(H2,37,41)(H,39,43)/t24?,27-,34?/m1/s1
• InChIKey: FHQJIDNNZJTAGH-MTABRHERSA-N
• XLogP: 6.84
• 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	639.67
LogP ≤ 5	6.84
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-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (CID 58353244) is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is CC(C)(C)CC[C@H](c1ccc(C(=O)NC/C(N)=N/N)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C1(C)CC1)CC2.

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

The InChIKey is FHQJIDNNZJTAGH-MTABRHERSA-N. The full InChI is InChI=1S/C34H44Cl2N6O2/c1-32(2,3)12-11-27(21-5-7-22(8-6-21)30(43)39-20-28(37)41-38)42-31(44)29(23-17-25(35)19-26(36)18-23)40-34(42)13-9-24(10-14-34)33(4)15-16-33/h5-8,17-19,24,27H,9-16,20,38H2,1-4H3,(H2,37,41)(H,39,43)/t24?,27-,34?/m1/s1.

What are the key properties of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide has a molecular weight of 639.67 g/mol, XLogP of 6.84, 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-[(1R)-1-[2-(3,5-dichlorophenyl)-8-(1-methylcyclopropyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is sourced from PubChem (CID 58353244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).