3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide

C21H24N4O4 — CID 124862016

IUPAC3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCOc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCc2ccccn2)C1=O
InChIInChI=1S/C21H24N4O4/c1-29-18-8-3-2-6-15(18)14-25-20(27)17(24-21(25)28)9-10-19(26)23-13-11-16-7-4-5-12-22-16/h2-8,12,17H,9-11,13-14H2,1H3,(H,23,26)(H,24,28)/t17-/m1/s1
InChIKeyKVQIHPUTSCWTSY-QGZVFWFLSA-N
MW396.45 g/mol
LogP1.65
Rot. Bonds9

About 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide

3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 124862016) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID124862016
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCOc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCc2ccccn2)C1=O
InChIInChI=1S/C21H24N4O4/c1-29-18-8-3-2-6-15(18)14-25-20(27)17(24-21(25)28)9-10-19(26)23-13-11-16-7-4-5-12-22-16/h2-8,12,17H,9-11,13-14H2,1H3,(H,23,26)(H,24,28)/t17-/m1/s1
InChIKeyKVQIHPUTSCWTSY-QGZVFWFLSA-N
XLogP1.65
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.65
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

2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871290
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124862992
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
CID 75490651
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 124862016) is 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide is COc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCc2ccccn2)C1=O.
What is the InChIKey of 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is KVQIHPUTSCWTSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-29-18-8-3-2-6-15(18)14-25-20(27)17(24-21(25)28)9-10-19(26)23-13-11-16-7-4-5-12-22-16/h2-8,12,17H,9-11,13-14H2,1H3,(H,23,26)(H,24,28)/t17-/m1/s1.
What are the key properties of 3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 396.45 g/mol, XLogP of 1.65, 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-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 124862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).