(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide

C16H21N3O4 — CID 9291421

IUPAC(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1=O
InChIInChI=1S/C16H21N3O4/c1-5-16(4)14(21)19(15(22)17-16)18-13(20)11(3)23-12-8-6-7-10(2)9-12/h6-9,11H,5H2,1-4H3,(H,17,22)(H,18,20)/t11-,16-/m1/s1
InChIKeyLUVYTMCODFQSAO-BDJLRTHQSA-N
MW319.36 g/mol
LogP1.51
Rot. Bonds5

About (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide

(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 9291421) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide
PubChem CID9291421
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1=O
InChIInChI=1S/C16H21N3O4/c1-5-16(4)14(21)19(15(22)17-16)18-13(20)11(3)23-12-8-6-7-10(2)9-12/h6-9,11H,5H2,1-4H3,(H,17,22)(H,18,20)/t11-,16-/m1/s1
InChIKeyLUVYTMCODFQSAO-BDJLRTHQSA-N
XLogP1.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.51
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

(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41097159
(2S)-N-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-(3-methylphenoxy)propanamide
CID 40648820
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
CID 27802506
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide (CID 9291421) is (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide is CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1=O.
What is the InChIKey of (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is LUVYTMCODFQSAO-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-5-16(4)14(21)19(15(22)17-16)18-13(20)11(3)23-12-8-6-7-10(2)9-12/h6-9,11H,5H2,1-4H3,(H,17,22)(H,18,20)/t11-,16-/m1/s1.
What are the key properties of (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide?
(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 319.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 9291421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).