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

C22H25N3O5 — CID 9294680

IUPAC3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCc2cccc(OC)c2OC)C1=O
InChIInChI=1S/C22H25N3O5/c1-4-22(16-10-6-5-7-11-16)20(27)25(21(28)23-22)24-18(26)14-13-15-9-8-12-17(29-2)19(15)30-3/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,26)/t22-/m0/s1
InChIKeyVVIIFPYHCAKFCQ-QFIPXVFZSA-N
MW411.46 g/mol
LogP2.52
Rot. Bonds8

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

3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide (PubChem CID 9294680) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
PubChem CID9294680
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCc2cccc(OC)c2OC)C1=O
InChIInChI=1S/C22H25N3O5/c1-4-22(16-10-6-5-7-11-16)20(27)25(21(28)23-22)24-18(26)14-13-15-9-8-12-17(29-2)19(15)30-3/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,26)/t22-/m0/s1
InChIKeyVVIIFPYHCAKFCQ-QFIPXVFZSA-N
XLogP2.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.52
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

N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9294111
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665083
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 43013055

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide (CID 9294680) is 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCc2cccc(OC)c2OC)C1=O.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide?
The InChIKey is VVIIFPYHCAKFCQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-22(16-10-6-5-7-11-16)20(27)25(21(28)23-22)24-18(26)14-13-15-9-8-12-17(29-2)19(15)30-3/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,26)/t22-/m0/s1.
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide is sourced from PubChem (CID 9294680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).