2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide

C23H24N4O5 — CID 143991342

IUPAC2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1C.NC(=O)Cc1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C13H11N3O3.C10H13NO2/c14-11(17)7-9-3-1-8(2-4-9)5-6-10-12(18)16-13(19)15-10;1-7-4-5-8(13-3)6-9(7)10(12)11-2/h1-4,10H,7H2,(H2,14,17)(H2,15,16,18,19);4-6H,1-3H3,(H,11,12)
InChIKeyQLDQTVYTTFPUHO-UHFFFAOYSA-N
MW436.47 g/mol
LogP0.64
Rot. Bonds4

About 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide

2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide (PubChem CID 143991342) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide
PubChem CID143991342
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1C.NC(=O)Cc1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C13H11N3O3.C10H13NO2/c14-11(17)7-9-3-1-8(2-4-9)5-6-10-12(18)16-13(19)15-10;1-7-4-5-8(13-3)6-9(7)10(12)11-2/h1-4,10H,7H2,(H2,14,17)(H2,15,16,18,19);4-6H,1-3H3,(H,11,12)
InChIKeyQLDQTVYTTFPUHO-UHFFFAOYSA-N
XLogP0.64
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222
(5S)-5-[2-[5-[(Z)-N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;5-methoxy-N,2-dimethylbenzamide
CID 143990861
N-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]-N'-ethenyl-N-methylmethanimidamide;ethane;1-(2-ethyl-5-methoxyphenyl)ethanone
CID 143990887
(5S)-5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846
5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991283
4-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-[2-(propan-2-ylamino)ethyl]-N-propylbenzenecarboximidamide;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990721
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
N,2-dimethyl-5-phenoxybenzamide
CID 135275179
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide?
The IUPAC name of 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide (CID 143991342) is 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide.
What is the SMILES notation for 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide?
The canonical SMILES for 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide is CNC(=O)c1cc(OC)ccc1C.NC(=O)Cc1ccc(C#CC2NC(=O)NC2=O)cc1.
What is the InChIKey of 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide?
The InChIKey is QLDQTVYTTFPUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3.C10H13NO2/c14-11(17)7-9-3-1-8(2-4-9)5-6-10-12(18)16-13(19)15-10;1-7-4-5-8(13-3)6-9(7)10(12)11-2/h1-4,10H,7H2,(H2,14,17)(H2,15,16,18,19);4-6H,1-3H3,(H,11,12).
What are the key properties of 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide?
2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide has a molecular weight of 436.47 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetamide;5-methoxy-N,2-dimethylbenzamide is sourced from PubChem (CID 143991342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).