4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide

C17H23N3O4 — CID 18111139

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)11-6-9-14(21)18-10-12-24-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyXHKOCZATHGUBTR-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.29
Rot. Bonds8

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide (PubChem CID 18111139) 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-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
PubChem CID18111139
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)11-6-9-14(21)18-10-12-24-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyXHKOCZATHGUBTR-UHFFFAOYSA-N
XLogP1.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
2-(4-bromophenoxy)ethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703261
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 43067548
3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 101178069
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 29393678
N-[(3-butoxyphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55749311
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 24515994
2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 95328779
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide (CID 18111139) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide is CC1(C)NC(=O)N(CCCC(=O)NCCOc2ccccc2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide?
The InChIKey is XHKOCZATHGUBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2)15(22)20(16(23)19-17)11-6-9-14(21)18-10-12-24-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide has a molecular weight of 333.39 g/mol, XLogP of 1.29, 8 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-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 18111139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).