3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

C15H19N3O3 — CID 124727509

IUPAC3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)N(CCN1C(=O)CNC1=O)C[C@@H](C)O2
InChIInChI=1S/C15H19N3O3/c1-10-3-4-13-12(7-10)17(9-11(2)21-13)5-6-18-14(19)8-16-15(18)20/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyDAFQENDTEVTPRZ-LLVKDONJSA-N
MW289.34 g/mol
LogP1.13
Rot. Bonds3

About 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 124727509) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
PubChem CID124727509
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)N(CCN1C(=O)CNC1=O)C[C@@H](C)O2
InChIInChI=1S/C15H19N3O3/c1-10-3-4-13-12(7-10)17(9-11(2)21-13)5-6-18-14(19)8-16-15(18)20/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyDAFQENDTEVTPRZ-LLVKDONJSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (CID 124727509) is 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is Cc1ccc2c(c1)N(CCN1C(=O)CNC1=O)C[C@@H](C)O2.
What is the InChIKey of 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is DAFQENDTEVTPRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-3-4-13-12(7-10)17(9-11(2)21-13)5-6-18-14(19)8-16-15(18)20/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124727509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).