N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H24ClN3O6 — CID 41079805

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(Cc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C22H24ClN3O6/c1-22(11-13-5-7-17(31-3)18(9-13)32-4)20(28)26(21(29)25-22)12-19(27)24-15-10-14(23)6-8-16(15)30-2/h5-10H,11-12H2,1-4H3,(H,24,27)(H,25,29)/t22-/m1/s1
InChIKeyNWRINRAYFVWAAQ-JOCHJYFZSA-N
MW461.90 g/mol
LogP2.86
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41079805) has the molecular formula C22H24ClN3O6 and a molecular weight of 461.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41079805
Molecular FormulaC22H24ClN3O6
Molecular Weight461.90 g/mol
Exact Mass461.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(Cc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C22H24ClN3O6/c1-22(11-13-5-7-17(31-3)18(9-13)32-4)20(28)26(21(29)25-22)12-19(27)24-15-10-14(23)6-8-16(15)30-2/h5-10H,11-12H2,1-4H3,(H,24,27)(H,25,29)/t22-/m1/s1
InChIKeyNWRINRAYFVWAAQ-JOCHJYFZSA-N
XLogP2.86
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98230090
2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8001798
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566403
N-(5-chloro-2-methoxyphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16557024
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2577245
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2500302
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266305
2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8659391

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41079805) is N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(Cc2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is NWRINRAYFVWAAQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24ClN3O6/c1-22(11-13-5-7-17(31-3)18(9-13)32-4)20(28)26(21(29)25-22)12-19(27)24-15-10-14(23)6-8-16(15)30-2/h5-10H,11-12H2,1-4H3,(H,24,27)(H,25,29)/t22-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 461.90 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41079805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).