N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C27H27N3O5 — CID 32926545

IUPACN-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)cc(OC)c1
InChIInChI=1S/C27H27N3O5/c1-17-10-11-20(12-18(17)2)27(19-8-6-5-7-9-19)25(32)30(26(33)29-27)16-24(31)28-21-13-22(34-3)15-23(14-21)35-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyQIXJCRMXOCMVLX-MHZLTWQESA-N
MW473.53 g/mol
LogP3.75
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 32926545) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID32926545
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)cc(OC)c1
InChIInChI=1S/C27H27N3O5/c1-17-10-11-20(12-18(17)2)27(19-8-6-5-7-9-19)25(32)30(26(33)29-27)16-24(31)28-21-13-22(34-3)15-23(14-21)35-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyQIXJCRMXOCMVLX-MHZLTWQESA-N
XLogP3.75
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 33097653
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
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 42964494
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4964580
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2117749
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 32926545) is N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is COc1cc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is QIXJCRMXOCMVLX-MHZLTWQESA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-10-11-20(12-18(17)2)27(19-8-6-5-7-9-19)25(32)30(26(33)29-27)16-24(31)28-21-13-22(34-3)15-23(14-21)35-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,33)/t27-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 32926545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).