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

C33H44Cl2N6O2 — CID 58353452

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

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide (PubChem CID 58353452) has the molecular formula C33H44Cl2N6O2 and a molecular weight of 630.68 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide.

Molecular Properties

• Compound Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide
• PubChem CID: 58353452
• Molecular Formula: C33H44Cl2N6O2
• Molecular Weight: 630.68 g/mol
• Exact Mass: 629.31
• IUPAC Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide
• SMILES: [2H]C([2H])([2H])C(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)C)c1ccc(C(=O)NC/C(N)=N/N)cc1
• InChI: InChI=1S/C33H44Cl2N6O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(42)38-19-28(36)40-37)41-31(43)29(23-16-25(34)18-26(35)17-23)39-33(41)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19,37H2,1-5H3,(H2,36,40)(H,38,42)/t24?,27-,33?/m1/s1/i3D3
• InChIKey: NTKXSAAEUYINHC-LYRTVUJSSA-N
• XLogP: 6.70
• TPSA: 126.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.68
LogP ≤ 5	6.70
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)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide?

The IUPAC name of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide (CID 58353452) is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide.

What is the SMILES notation for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide?

The canonical SMILES for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide is [2H]C([2H])([2H])C(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)C)c1ccc(C(=O)NC/C(N)=N/N)cc1.

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

The InChIKey is NTKXSAAEUYINHC-LYRTVUJSSA-N. The full InChI is InChI=1S/C33H44Cl2N6O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(42)38-19-28(36)40-37)41-31(43)29(23-16-25(34)18-26(35)17-23)39-33(41)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19,37H2,1-5H3,(H2,36,40)(H,38,42)/t24?,27-,33?/m1/s1/i3D3.

What are the key properties of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide?

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide has a molecular weight of 630.68 g/mol, XLogP of 6.70, 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)-3-oxo-8-(1,1,1-trideuterio-2-methylpropan-2-yl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]benzamide is sourced from PubChem (CID 58353452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).