3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide

C23H26N4O5 — CID 31613714

IUPAC3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)c1
InChIInChI=1S/C23H26N4O5/c1-23(12-11-15-7-9-18(32-3)10-8-15)21(30)27(22(31)26-23)14-19(28)25-17-6-4-5-16(13-17)20(29)24-2/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,28)(H,26,31)/t23-/m1/s1
InChIKeyLMDBKKQRAJBXDA-HSZRJFAPSA-N
MW438.48 g/mol
LogP1.94
Rot. Bonds8

About 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 31613714) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID31613714
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)c1
InChIInChI=1S/C23H26N4O5/c1-23(12-11-15-7-9-18(32-3)10-8-15)21(30)27(22(31)26-23)14-19(28)25-17-6-4-5-16(13-17)20(29)24-2/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,28)(H,26,31)/t23-/m1/s1
InChIKeyLMDBKKQRAJBXDA-HSZRJFAPSA-N
XLogP1.94
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-(3,5-difluorophenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24571527
3-[[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 55857736
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 8507105
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25435533
N-(2-ethylphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507145
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide (CID 31613714) is 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)c1.
What is the InChIKey of 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is LMDBKKQRAJBXDA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-23(12-11-15-7-9-18(32-3)10-8-15)21(30)27(22(31)26-23)14-19(28)25-17-6-4-5-16(13-17)20(29)24-2/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,28)(H,26,31)/t23-/m1/s1.
What are the key properties of 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 31613714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).