3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide

C27H26N4O4 — CID 33097653

IUPAC3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)c1
InChIInChI=1S/C27H26N4O4/c1-17-12-13-21(14-18(17)2)27(20-9-5-4-6-10-20)25(34)31(26(35)30-27)16-23(32)29-22-11-7-8-19(15-22)24(33)28-3/h4-15H,16H2,1-3H3,(H,28,33)(H,29,32)(H,30,35)/t27-/m0/s1
InChIKeyNPCDSBXJKOISAE-MHZLTWQESA-N
MW470.53 g/mol
LogP3.10
Rot. Bonds6

About 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 33097653) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID33097653
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)c1
InChIInChI=1S/C27H26N4O4/c1-17-12-13-21(14-18(17)2)27(20-9-5-4-6-10-20)25(34)31(26(35)30-27)16-23(32)29-22-11-7-8-19(15-22)24(33)28-3/h4-15H,16H2,1-3H3,(H,28,33)(H,29,32)(H,30,35)/t27-/m0/s1
InChIKeyNPCDSBXJKOISAE-MHZLTWQESA-N
XLogP3.10
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 32926545
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 42921307
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide (CID 33097653) is 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)c1.
What is the InChIKey of 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is NPCDSBXJKOISAE-MHZLTWQESA-N. The full InChI is InChI=1S/C27H26N4O4/c1-17-12-13-21(14-18(17)2)27(20-9-5-4-6-10-20)25(34)31(26(35)30-27)16-23(32)29-22-11-7-8-19(15-22)24(33)28-3/h4-15H,16H2,1-3H3,(H,28,33)(H,29,32)(H,30,35)/t27-/m0/s1.
What are the key properties of 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 470.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 33097653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).