2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C21H21N3O5 — CID 9073066

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-29-17-10-6-5-9-16(17)11-12-22-18(25)14-24-20(27)19(26)23(21(24)28)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeyYOKQCPAERGUCLG-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.34
Rot. Bonds8

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 9073066) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID9073066
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-29-17-10-6-5-9-16(17)11-12-22-18(25)14-24-20(27)19(26)23(21(24)28)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeyYOKQCPAERGUCLG-UHFFFAOYSA-N
XLogP1.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 46259369
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 9073066) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is YOKQCPAERGUCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-29-17-10-6-5-9-16(17)11-12-22-18(25)14-24-20(27)19(26)23(21(24)28)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 9073066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).