2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C27H26N4O4 — CID 41410811

IUPAC2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C27H26N4O4/c1-27(21-11-10-19-5-2-3-6-20(19)15-21)25(34)31(26(35)29-27)17-23(32)28-16-18-8-12-22(13-9-18)30-14-4-7-24(30)33/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,28,32)(H,29,35)/t27-/m0/s1
InChIKeyQTMCPZGUQRJEMC-MHZLTWQESA-N
MW470.53 g/mol
LogP3.05
Rot. Bonds6

About 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 41410811) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID41410811
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C27H26N4O4/c1-27(21-11-10-19-5-2-3-6-20(19)15-21)25(34)31(26(35)29-27)17-23(32)28-16-18-8-12-22(13-9-18)30-14-4-7-24(30)33/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,28,32)(H,29,35)/t27-/m0/s1
InChIKeyQTMCPZGUQRJEMC-MHZLTWQESA-N
XLogP3.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 41410815
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 46616357
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
N'-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 55495846
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55481314
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 41410811) is 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is QTMCPZGUQRJEMC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H26N4O4/c1-27(21-11-10-19-5-2-3-6-20(19)15-21)25(34)31(26(35)29-27)17-23(32)28-16-18-8-12-22(13-9-18)30-14-4-7-24(30)33/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,28,32)(H,29,35)/t27-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 41410811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).