N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H18N4O4 — CID 47092834

IUPACN-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#N)c3)C2=O)c(C)o1
InChIInChI=1S/C19H18N4O4/c1-11-7-15(12(2)27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-14-6-4-5-13(8-14)9-20/h4-8H,10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyGTXCOLDMCBJBEL-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.17
Rot. Bonds4

About N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 47092834) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID47092834
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#N)c3)C2=O)c(C)o1
InChIInChI=1S/C19H18N4O4/c1-11-7-15(12(2)27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-14-6-4-5-13(8-14)9-20/h4-8H,10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyGTXCOLDMCBJBEL-UHFFFAOYSA-N
XLogP2.17
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.17
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-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 47092837
N-(3-cyanophenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7561950
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-(2-chlorophenyl)-2-[(4R)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52516808
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081777
N-(3-cyanophenyl)-2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 62060669
N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2544493
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18278725

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 47092834) is N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#N)c3)C2=O)c(C)o1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GTXCOLDMCBJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-7-15(12(2)27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-14-6-4-5-13(8-14)9-20/h4-8H,10H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 47092834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).