N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide

C17H21N3O4 — CID 52528557

IUPACN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)12-8-10-24-11-9-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t17-/m1/s1
InChIKeyDCXIJYVETZJGJU-QGZVFWFLSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds4

About N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide

N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide (PubChem CID 52528557) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
PubChem CID52528557
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)12-8-10-24-11-9-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t17-/m1/s1
InChIKeyDCXIJYVETZJGJU-QGZVFWFLSA-N
XLogP1.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.30
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

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24542802
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 29484707
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294828
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
benzyl-ethyl-[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8564244
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
N-[1-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55851050

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide?
The IUPAC name of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide (CID 52528557) is N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide is CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O.
What is the InChIKey of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide?
The InChIKey is DCXIJYVETZJGJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)12-8-10-24-11-9-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide?
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide is sourced from PubChem (CID 52528557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).