(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C28H29N3O4 — CID 41367932

IUPAC(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-3-35-23-14-11-20(12-15-23)24-9-6-16-30(24)25(32)18-31-26(33)28(2,29-27(31)34)22-13-10-19-7-4-5-8-21(19)17-22/h4-5,7-8,10-15,17,24H,3,6,9,16,18H2,1-2H3,(H,29,34)/t24-,28-/m1/s1
InChIKeyBTLZRIIUPOMJGI-UFHPHHKVSA-N
MW471.56 g/mol
LogP4.37
Rot. Bonds6

About (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 41367932) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID41367932
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-3-35-23-14-11-20(12-15-23)24-9-6-16-30(24)25(32)18-31-26(33)28(2,29-27(31)34)22-13-10-19-7-4-5-8-21(19)17-22/h4-5,7-8,10-15,17,24H,3,6,9,16,18H2,1-2H3,(H,29,34)/t24-,28-/m1/s1
InChIKeyBTLZRIIUPOMJGI-UFHPHHKVSA-N
XLogP4.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 17451643
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
3-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17417633
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
CID 167747837
(5R)-3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41193621
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
(5S)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41311848
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 98396447
5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43048123

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 41367932) is (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is BTLZRIIUPOMJGI-UFHPHHKVSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-3-35-23-14-11-20(12-15-23)24-9-6-16-30(24)25(32)18-31-26(33)28(2,29-27(31)34)22-13-10-19-7-4-5-8-21(19)17-22/h4-5,7-8,10-15,17,24H,3,6,9,16,18H2,1-2H3,(H,29,34)/t24-,28-/m1/s1.
What are the key properties of (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 471.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 41367932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).