2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide

C16H21N3O3 — CID 110715323

IUPAC2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-4-10(5-2)14(20)17-12-8-6-11(7-9-12)13-15(21)19(3)16(22)18-13/h6-10,13H,4-5H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyOXEJSZXKGQGTIQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.28
Rot. Bonds5

About 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide

2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide (PubChem CID 110715323) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
PubChem CID110715323
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-4-10(5-2)14(20)17-12-8-6-11(7-9-12)13-15(21)19(3)16(22)18-13/h6-10,13H,4-5H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyOXEJSZXKGQGTIQ-UHFFFAOYSA-N
XLogP2.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide
CID 110715362
N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenoxyacetamide
CID 110715342
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
2-ethyl-N-[4-(4-methylmorpholin-2-yl)phenyl]butanamide
CID 110720339
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260370
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide (CID 110715323) is 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1.
What is the InChIKey of 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The InChIKey is OXEJSZXKGQGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-10(5-2)14(20)17-12-8-6-11(7-9-12)13-15(21)19(3)16(22)18-13/h6-10,13H,4-5H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide is sourced from PubChem (CID 110715323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).