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

C17H23N3O5 — CID 110210460

IUPACN-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C17H23N3O5/c1-25-13-4-2-12(3-5-13)8-10-20-16(23)14(19-17(20)24)6-7-15(22)18-9-11-21/h2-5,14,21H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKeyUNDYEQSZKVMAFX-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.05
Rot. Bonds9

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

N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 110210460) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID110210460
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C17H23N3O5/c1-25-13-4-2-12(3-5-13)8-10-20-16(23)14(19-17(20)24)6-7-15(22)18-9-11-21/h2-5,14,21H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKeyUNDYEQSZKVMAFX-UHFFFAOYSA-N
XLogP0.05
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.05
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

3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 126417347
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124860449
N-(4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 86207589
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide
CID 99871054
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210527
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-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 110210460) is N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CCN2C(=O)NC(CCC(=O)NCCO)C2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is UNDYEQSZKVMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-25-13-4-2-12(3-5-13)8-10-20-16(23)14(19-17(20)24)6-7-15(22)18-9-11-21/h2-5,14,21H,6-11H2,1H3,(H,18,22)(H,19,24).
What are the key properties of N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 349.39 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 110210460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).