4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide

C17H23N3O4 — CID 32638596

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)9-5-8-14(21)18-13-7-4-6-12(10-13)11-24-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyYWKFLCOXZZHEEU-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.88
Rot. Bonds7

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide (PubChem CID 32638596) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
PubChem CID32638596
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)9-5-8-14(21)18-13-7-4-6-12(10-13)11-24-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyYWKFLCOXZZHEEU-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
CID 78887675
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-7-ylbutanamide
CID 166280199
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 120605375
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703181
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 78788881
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 24515994
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
CID 60509196
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide (CID 32638596) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide is COCc1cccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The InChIKey is YWKFLCOXZZHEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)9-5-8-14(21)18-13-7-4-6-12(10-13)11-24-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide has a molecular weight of 333.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide is sourced from PubChem (CID 32638596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).