2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

C28H26N4O5 — CID 31609262

IUPAC2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C28H26N4O5/c1-28(22-11-8-19(15-29)9-12-22)26(34)32(27(35)31-28)17-25(33)30-16-21-10-13-23(24(14-21)36-2)37-18-20-6-4-3-5-7-20/h3-14H,16-18H2,1-2H3,(H,30,33)(H,31,35)/t28-/m0/s1
InChIKeyQOURTFBALONGMK-NDEPHWFRSA-N
MW498.54 g/mol
LogP3.23
Rot. Bonds9

About 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 31609262) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID31609262
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C28H26N4O5/c1-28(22-11-8-19(15-29)9-12-22)26(34)32(27(35)31-28)17-25(33)30-16-21-10-13-23(24(14-21)36-2)37-18-20-6-4-3-5-7-20/h3-14H,16-18H2,1-2H3,(H,30,33)(H,31,35)/t28-/m0/s1
InChIKeyQOURTFBALONGMK-NDEPHWFRSA-N
XLogP3.23
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.23
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-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41087765
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 55846406
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92786574
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18774902
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide
CID 27865933
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(3-bromophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55576899

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (CID 31609262) is 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is QOURTFBALONGMK-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-28(22-11-8-19(15-29)9-12-22)26(34)32(27(35)31-28)17-25(33)30-16-21-10-13-23(24(14-21)36-2)37-18-20-6-4-3-5-7-20/h3-14H,16-18H2,1-2H3,(H,30,33)(H,31,35)/t28-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 498.54 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31609262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).