3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide

C23H33N3O6 — CID 71831317

IUPAC3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NC3CCOC(C)(C)C3)C2=O)cc1OC
InChIInChI=1S/C23H33N3O6/c1-23(2)14-16(10-12-32-23)24-20(27)8-6-17-21(28)26(22(29)25-17)11-9-15-5-7-18(30-3)19(13-15)31-4/h5,7,13,16-17H,6,8-12,14H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyHHICWVJKBOVZDE-UHFFFAOYSA-N
MW447.53 g/mol
LogP2.02
Rot. Bonds9

About 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide

3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide (PubChem CID 71831317) has the molecular formula C23H33N3O6 and a molecular weight of 447.53 g/mol. Its IUPAC name is 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide
PubChem CID71831317
Molecular FormulaC23H33N3O6
Molecular Weight447.53 g/mol
Exact Mass447.24
IUPAC Name3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NC3CCOC(C)(C)C3)C2=O)cc1OC
InChIInChI=1S/C23H33N3O6/c1-23(2)14-16(10-12-32-23)24-20(27)8-6-17-21(28)26(22(29)25-17)11-9-15-5-7-18(30-3)19(13-15)31-4/h5,7,13,16-17H,6,8-12,14H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyHHICWVJKBOVZDE-UHFFFAOYSA-N
XLogP2.02
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.02
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

3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 75465482
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 124864039
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489298
N-(1,1-dioxothiolan-3-yl)-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488695
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124906590
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 75489908
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 126417321
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 41062840
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 126418452

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The IUPAC name of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide (CID 71831317) is 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide.
What is the SMILES notation for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The canonical SMILES for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide is COc1ccc(CCN2C(=O)NC(CCC(=O)NC3CCOC(C)(C)C3)C2=O)cc1OC.
What is the InChIKey of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide?
The InChIKey is HHICWVJKBOVZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O6/c1-23(2)14-16(10-12-32-23)24-20(27)8-6-17-21(28)26(22(29)25-17)11-9-15-5-7-18(30-3)19(13-15)31-4/h5,7,13,16-17H,6,8-12,14H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide?
3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide has a molecular weight of 447.53 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide is sourced from PubChem (CID 71831317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).