methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate

C14H17NO4 — CID 10635262

IUPACmethyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate
SMILESCC[C@H]1Oc2cc(C(=O)OC)ccc2N(CC)C1=O
InChIInChI=1S/C14H17NO4/c1-4-11-13(16)15(5-2)10-7-6-9(14(17)18-3)8-12(10)19-11/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyYJMJJXOENWHZDV-LLVKDONJSA-N
MW263.29 g/mol
LogP2.00
Rot. Bonds3

About methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate

methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate (PubChem CID 10635262) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate
PubChem CID10635262
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate
SMILESCC[C@H]1Oc2cc(C(=O)OC)ccc2N(CC)C1=O
InChIInChI=1S/C14H17NO4/c1-4-11-13(16)15(5-2)10-7-6-9(14(17)18-3)8-12(10)19-11/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyYJMJJXOENWHZDV-LLVKDONJSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
CID 70261480
methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate
CID 145271121
(2R)-2,4-diethyl-1,4-benzoxazin-3-one
CID 140970605
methyl 2-(hydroxymethyl)-3,4-dimethyl-2,3-dihydro-1,4-benzoxazine-7-carboxylate
CID 84634279
4-ethyl-7-methyl-2-(2-oxopentyl)-1,4-benzoxazin-3-one
CID 144704127
4-benzyl-2-ethyl-7-(hydroxymethyl)-1,4-benzoxazin-3-one
CID 82338571
methyl 4-ethyl-1,1,3-trioxo-1λ6,4-benzothiazine-6-carboxylate
CID 67635979
N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51686732
methyl 2-[7-(aminomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
CID 82338649
4-(3-aminopropyl)-2-ethyl-7-methyl-1,4-benzoxazin-3-one
CID 82142370
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate?
The IUPAC name of methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate (CID 10635262) is methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate is CC[C@H]1Oc2cc(C(=O)OC)ccc2N(CC)C1=O.
What is the InChIKey of methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate?
The InChIKey is YJMJJXOENWHZDV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-11-13(16)15(5-2)10-7-6-9(14(17)18-3)8-12(10)19-11/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate?
methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 10635262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).