N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide

C30H52N2O5 — CID 91195500

About N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide

N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide (PubChem CID 91195500) has the molecular formula C30H52N2O5 and a molecular weight of 520.76 g/mol. Its IUPAC name is N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide.

Molecular Properties

• Compound Name: N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
• PubChem CID: 91195500
• Molecular Formula: C30H52N2O5
• Molecular Weight: 520.76 g/mol
• Exact Mass: 520.39
• IUPAC Name: N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
• SMILES: COCCCOc1cc(CCCCCCC(C(=O)NCC(C)(C)NC=O)(C(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C30H52N2O5/c1-23(2)30(24(3)4,28(34)31-21-29(5,6)32-22-33)17-12-10-9-11-14-25-15-16-26(36-8)27(20-25)37-19-13-18-35-7/h15-16,20,22-24H,9-14,17-19,21H2,1-8H3,(H,31,34)(H,32,33)
• InChIKey: IFMSFMPBSKIDML-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.76
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide?

The IUPAC name of N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide (CID 91195500) is N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide.

What is the SMILES notation for N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide?

The canonical SMILES for N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide is COCCCOc1cc(CCCCCCC(C(=O)NCC(C)(C)NC=O)(C(C)C)C(C)C)ccc1OC.

What is the InChIKey of N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide?

The InChIKey is IFMSFMPBSKIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O5/c1-23(2)30(24(3)4,28(34)31-21-29(5,6)32-22-33)17-12-10-9-11-14-25-15-16-26(36-8)27(20-25)37-19-13-18-35-7/h15-16,20,22-24H,9-14,17-19,21H2,1-8H3,(H,31,34)(H,32,33).

What are the key properties of N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide?

N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide has a molecular weight of 520.76 g/mol, XLogP of 5.54, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide is sourced from PubChem (CID 91195500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).