[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate

C18H18N2O4 — CID 97196762

IUPAC[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESC[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O4/c1-11(13-7-6-12-4-2-3-5-14(12)10-13)24-16(21)9-8-15-17(22)20-18(23)19-15/h2-7,10-11,15H,8-9H2,1H3,(H2,19,20,22,23)/t11-,15-/m1/s1
InChIKeyGHLSGAOSTGAERJ-IAQYHMDHSA-N
MW326.35 g/mol
LogP2.43
Rot. Bonds5

About [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate

[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 97196762) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID97196762
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESC[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O4/c1-11(13-7-6-12-4-2-3-5-14(12)10-13)24-16(21)9-8-15-17(22)20-18(23)19-15/h2-7,10-11,15H,8-9H2,1H3,(H2,19,20,22,23)/t11-,15-/m1/s1
InChIKeyGHLSGAOSTGAERJ-IAQYHMDHSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.43
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

1-naphthalen-2-ylethyl pentanoate
CID 46886522
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
CID 154771364
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
1-(16,32-dithiaoctacyclo[15.15.0.02,15.04,13.06,11.018,31.020,29.022,27]dotriaconta-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28,30-pentadecaen-9-yl)ethyl propanoate
CID 160955253
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one
CID 101017960
[(1S)-1-naphthalen-2-ylethyl] 2-[4-hydroxy-2-(hydroxymethyl)-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 135056039
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate
CID 97308909

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate (CID 97196762) is [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate is C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is GHLSGAOSTGAERJ-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(13-7-6-12-4-2-3-5-14(12)10-13)24-16(21)9-8-15-17(22)20-18(23)19-15/h2-7,10-11,15H,8-9H2,1H3,(H2,19,20,22,23)/t11-,15-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate?
[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 326.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 97196762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).