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

C26H25N3O4 — CID 46259328

IUPAC2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H25N3O4/c1-33-21-11-7-10-19(16-21)14-15-27-24(30)18-29-23-13-6-5-12-22(23)28(25(31)26(29)32)17-20-8-3-2-4-9-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,30)
InChIKeyUMIMEJQJTWVQKV-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.58
Rot. Bonds8

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

2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 46259328) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID46259328
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H25N3O4/c1-33-21-11-7-10-19(16-21)14-15-27-24(30)18-29-23-13-6-5-12-22(23)28(25(31)26(29)32)17-20-8-3-2-4-9-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,30)
InChIKeyUMIMEJQJTWVQKV-UHFFFAOYSA-N
XLogP2.58
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 46259369
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 16801733
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 166807912
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 46259328) is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is UMIMEJQJTWVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-21-11-7-10-19(16-21)14-15-27-24(30)18-29-23-13-6-5-12-22(23)28(25(31)26(29)32)17-20-8-3-2-4-9-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46259328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).