N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide

C25H30ClN3O6 — CID 42770707

About N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide (PubChem CID 42770707) has the molecular formula C25H30ClN3O6 and a molecular weight of 503.98 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
• PubChem CID: 42770707
• Molecular Formula: C25H30ClN3O6
• Molecular Weight: 503.98 g/mol
• Exact Mass: 503.18
• IUPAC Name: N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
• SMILES: COCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C25H30ClN3O6/c1-17-21(26)7-5-8-22(17)29-16-28(15-24(29)31)23(30)14-27(9-6-10-33-2)25(32)18-11-19(34-3)13-20(12-18)35-4/h5,7-8,11-13H,6,9-10,14-16H2,1-4H3
• InChIKey: ZTOSSCPLOSRMBZ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 88.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.98
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide?

The IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide (CID 42770707) is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide.

What is the SMILES notation for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide?

The canonical SMILES for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide is COCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1cc(OC)cc(OC)c1.

What is the InChIKey of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide?

The InChIKey is ZTOSSCPLOSRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O6/c1-17-21(26)7-5-8-22(17)29-16-28(15-24(29)31)23(30)14-27(9-6-10-33-2)25(32)18-11-19(34-3)13-20(12-18)35-4/h5,7-8,11-13H,6,9-10,14-16H2,1-4H3.

What are the key properties of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide?

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide has a molecular weight of 503.98 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 42770707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).