N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C20H22N4O4 — CID 119072544

IUPACN-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCN1CC(=O)N(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)C1=O
InChIInChI=1S/C20H22N4O4/c1-22-13-19(27)24(20(22)28)14-18(26)23(11-15-7-9-21-10-8-15)12-17(25)16-5-3-2-4-6-16/h2-10,17,25H,11-14H2,1H3
InChIKeyBRYQBZUUXWSRRZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.04
Rot. Bonds7

About N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 119072544) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID119072544
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCN1CC(=O)N(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)C1=O
InChIInChI=1S/C20H22N4O4/c1-22-13-19(27)24(20(22)28)14-18(26)23(11-15-7-9-21-10-8-15)12-17(25)16-5-3-2-4-6-16/h2-10,17,25H,11-14H2,1H3
InChIKeyBRYQBZUUXWSRRZ-UHFFFAOYSA-N
XLogP1.04
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 74248148
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9159247
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N,N-bis(3-methylbutyl)acetamide
CID 55867688
ethyl 2-[benzyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2368566
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 56522106

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 119072544) is N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is CN1CC(=O)N(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)C1=O.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BRYQBZUUXWSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-22-13-19(27)24(20(22)28)14-18(26)23(11-15-7-9-21-10-8-15)12-17(25)16-5-3-2-4-6-16/h2-10,17,25H,11-14H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 119072544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).