N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide

C40H52N6O2 — CID 175550101

About N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide

N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide (PubChem CID 175550101) has the molecular formula C40H52N6O2 and a molecular weight of 648.90 g/mol. Its IUPAC name is N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide.

Molecular Properties

• Compound Name: N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide
• PubChem CID: 175550101
• Molecular Formula: C40H52N6O2
• Molecular Weight: 648.90 g/mol
• Exact Mass: 648.42
• IUPAC Name: N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide
• SMILES: C=C(CCCCCCC)NCCCCCC(=O)NNC(=O)C(N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
• InChI: InChI=1S/C40H52N6O2/c1-3-4-5-6-11-20-32(2)42-28-19-10-18-27-38(47)44-45-39(48)37(41)29-36-30-46(31-43-36)40(33-21-12-7-13-22-33,34-23-14-8-15-24-34)35-25-16-9-17-26-35/h7-9,12-17,21-26,30-31,37,42H,2-6,10-11,18-20,27-29,41H2,1H3,(H,44,47)(H,45,48)
• InChIKey: XNVWFAFZQLAJKV-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 114.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.90
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide?

The IUPAC name of N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide (CID 175550101) is N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide.

What is the SMILES notation for N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide?

The canonical SMILES for N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide is C=C(CCCCCCC)NCCCCCC(=O)NNC(=O)C(N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.

What is the InChIKey of N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide?

The InChIKey is XNVWFAFZQLAJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N6O2/c1-3-4-5-6-11-20-32(2)42-28-19-10-18-27-38(47)44-45-39(48)37(41)29-36-30-46(31-43-36)40(33-21-12-7-13-22-33,34-23-14-8-15-24-34)35-25-16-9-17-26-35/h7-9,12-17,21-26,30-31,37,42H,2-6,10-11,18-20,27-29,41H2,1H3,(H,44,47)(H,45,48).

What are the key properties of N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide?

N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide has a molecular weight of 648.90 g/mol, XLogP of 6.76, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-amino-3-(1-tritylimidazol-4-yl)propanoyl]-6-(non-1-en-2-ylamino)hexanehydrazide is sourced from PubChem (CID 175550101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).