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

C23H27N3O3 — CID 7242858

IUPAC(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H27N3O3/c1-3-17-11-6-7-14-25(17)20(27)15-26-21(28)23(2,24-22(26)29)19-13-8-10-16-9-4-5-12-18(16)19/h4-5,8-10,12-13,17H,3,6-7,11,14-15H2,1-2H3,(H,24,29)/t17-,23-/m1/s1
InChIKeyITMHGBRKXQEOGY-UZUQRXQVSA-N
MW393.49 g/mol
LogP3.40
Rot. Bonds4

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

(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 7242858) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID7242858
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H27N3O3/c1-3-17-11-6-7-14-25(17)20(27)15-26-21(28)23(2,24-22(26)29)19-13-8-10-16-9-4-5-12-18(16)19/h4-5,8-10,12-13,17H,3,6-7,11,14-15H2,1-2H3,(H,24,29)/t17-,23-/m1/s1
InChIKeyITMHGBRKXQEOGY-UZUQRXQVSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 7242858) is (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is ITMHGBRKXQEOGY-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-17-11-6-7-14-25(17)20(27)15-26-21(28)23(2,24-22(26)29)19-13-8-10-16-9-4-5-12-18(16)19/h4-5,8-10,12-13,17H,3,6-7,11,14-15H2,1-2H3,(H,24,29)/t17-,23-/m1/s1.
What are the key properties of (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 7242858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).