4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one

C14H19NO3 — CID 59333197

IUPAC4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one
SMILESCOCCN1C(=O)COc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-9-14(16)15(12)6-7-17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXVNVDXYZTMIRHU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds4

About 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one

4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 59333197) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID59333197
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one
SMILESCOCCN1C(=O)COc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-9-14(16)15(12)6-7-17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXVNVDXYZTMIRHU-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 23148519
7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
7-iodo-4-(4-methylpentyl)-1,4-benzoxazin-3-one
CID 83163219
6-(1-amino-2-methoxyethyl)-4-(methoxymethyl)-1,4-benzoxazin-3-one
CID 82028432
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012
6-(1-amino-2,2,2-trifluoroethyl)-4-propyl-1,4-benzoxazin-3-one
CID 82028356
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
7-amino-4-(2-ethylsulfonylethyl)-1,4-benzoxazin-3-one
CID 55154456
6-(cyclopropylmethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 58483740
4-(4-methoxybutyl)-6-nitro-1,4-benzoxazin-3-one
CID 58005522
4-heptyl-7-iodo-1,4-benzoxazin-3-one
CID 79785529
3-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282239

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one (CID 59333197) is 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one is COCCN1C(=O)COc2cc(C(C)C)ccc21.
What is the InChIKey of 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is XVNVDXYZTMIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-9-14(16)15(12)6-7-17-3/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one?
4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 59333197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).