(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H23N3O3 — CID 2704293

IUPAC(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)8-14-17(23)20(18(24)19-14)10-16(22)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,24)/t12-,14-/m1/s1
InChIKeyCHXJHXOBSDCGQX-TZMCWYRMSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds4

About (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 2704293) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID2704293
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)8-14-17(23)20(18(24)19-14)10-16(22)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,24)/t12-,14-/m1/s1
InChIKeyCHXJHXOBSDCGQX-TZMCWYRMSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
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-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 2704293) is (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O.
What is the InChIKey of (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is CHXJHXOBSDCGQX-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)8-14-17(23)20(18(24)19-14)10-16(22)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,24)/t12-,14-/m1/s1.
What are the key properties of (5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.93, 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-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2704293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).