N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C24H30N4O4 — CID 40857219

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40857219) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 40857219
• Molecular Formula: C24H30N4O4
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1)C(C)C
• InChI: InChI=1S/C24H30N4O4/c1-6-27(16(2)3)19-11-9-18(10-12-19)25-21(29)15-28-22(30)24(4,26-23(28)31)17-7-13-20(32-5)14-8-17/h7-14,16H,6,15H2,1-5H3,(H,25,29)(H,26,31)/t24-/m0/s1
• InChIKey: WSURVHYEPUCEDE-DEOSSOPVSA-N
• XLogP: 3.34
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40857219) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1)C(C)C.

What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is WSURVHYEPUCEDE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-6-27(16(2)3)19-11-9-18(10-12-19)25-21(29)15-28-22(30)24(4,26-23(28)31)17-7-13-20(32-5)14-8-17/h7-14,16H,6,15H2,1-5H3,(H,25,29)(H,26,31)/t24-/m0/s1.

What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40857219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).