N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide

C30H38N4O10 — CID 170116384

About N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide (PubChem CID 170116384) has the molecular formula C30H38N4O10 and a molecular weight of 614.65 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide
• PubChem CID: 170116384
• Molecular Formula: C30H38N4O10
• Molecular Weight: 614.65 g/mol
• Exact Mass: 614.26
• IUPAC Name: N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide
• SMILES: COc1ccc2c(=O)cc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc3)oc2c1OC
• InChI: InChI=1S/C30H38N4O10/c1-37-26-8-7-24-25(35)21-27(44-28(24)29(26)38-2)22-3-5-23(6-4-22)30(36)32-9-11-39-13-15-41-17-19-43-20-18-42-16-14-40-12-10-33-34-31/h3-8,21H,9-20H2,1-2H3,(H,32,36)
• InChIKey: UGKSKKXXXCVWCA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 172.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.65
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide?

The IUPAC name of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide (CID 170116384) is N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide is COc1ccc2c(=O)cc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc3)oc2c1OC.

What is the InChIKey of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide?

The InChIKey is UGKSKKXXXCVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O10/c1-37-26-8-7-24-25(35)21-27(44-28(24)29(26)38-2)22-3-5-23(6-4-22)30(36)32-9-11-39-13-15-41-17-19-43-20-18-42-16-14-40-12-10-33-34-31/h3-8,21H,9-20H2,1-2H3,(H,32,36).

What are the key properties of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide?

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide has a molecular weight of 614.65 g/mol, XLogP of 3.60, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 170116384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).