2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H23BrN4O4 — CID 98775740

IUPAC2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)C1=O
InChIInChI=1S/C18H23BrN4O4/c1-5-18(4)16(25)23(17(26)20-18)21-15(24)9-22-8-11(3)27-14-6-10(2)12(19)7-13(14)22/h6-7,11H,5,8-9H2,1-4H3,(H,20,26)(H,21,24)/t11-,18-/m1/s1
InChIKeyDJTMULIZBKBPEN-ADLMAVQZSA-N
MW439.31 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 98775740) has the molecular formula C18H23BrN4O4 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID98775740
Molecular FormulaC18H23BrN4O4
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)C1=O
InChIInChI=1S/C18H23BrN4O4/c1-5-18(4)16(25)23(17(26)20-18)21-15(24)9-22-8-11(3)27-14-6-10(2)12(19)7-13(14)22/h6-7,11H,5,8-9H2,1-4H3,(H,20,26)(H,21,24)/t11-,18-/m1/s1
InChIKeyDJTMULIZBKBPEN-ADLMAVQZSA-N
XLogP2.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 98775740) is 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)C1=O.
What is the InChIKey of 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DJTMULIZBKBPEN-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H23BrN4O4/c1-5-18(4)16(25)23(17(26)20-18)21-15(24)9-22-8-11(3)27-14-6-10(2)12(19)7-13(14)22/h6-7,11H,5,8-9H2,1-4H3,(H,20,26)(H,21,24)/t11-,18-/m1/s1.
What are the key properties of 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 439.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 98775740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).