3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide

C21H29N3O5 — CID 124862992

IUPAC3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
SMILESCOc1ccccc1CCN1C(=O)N[C@H](CCC(=O)NCC2CCOCC2)C1=O
InChIInChI=1S/C21H29N3O5/c1-28-18-5-3-2-4-16(18)8-11-24-20(26)17(23-21(24)27)6-7-19(25)22-14-15-9-12-29-13-10-15/h2-5,15,17H,6-14H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyQASJDOMCXOXWQV-QGZVFWFLSA-N
MW403.48 g/mol
LogP1.48
Rot. Bonds9

About 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide

3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide (PubChem CID 124862992) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
PubChem CID124862992
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
SMILESCOc1ccccc1CCN1C(=O)N[C@H](CCC(=O)NCC2CCOCC2)C1=O
InChIInChI=1S/C21H29N3O5/c1-28-18-5-3-2-4-16(18)8-11-24-20(26)17(23-21(24)27)6-7-19(25)22-14-15-9-12-29-13-10-15/h2-5,15,17H,6-14H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyQASJDOMCXOXWQV-QGZVFWFLSA-N
XLogP1.48
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.48
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

3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124906590
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione
CID 163088392
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide (CID 124862992) is 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide is COc1ccccc1CCN1C(=O)N[C@H](CCC(=O)NCC2CCOCC2)C1=O.
What is the InChIKey of 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is QASJDOMCXOXWQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-28-18-5-3-2-4-16(18)8-11-24-20(26)17(23-21(24)27)6-7-19(25)22-14-15-9-12-29-13-10-15/h2-5,15,17H,6-14H2,1H3,(H,22,25)(H,23,27)/t17-/m1/s1.
What are the key properties of 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 124862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).