methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

C14H19NO3 — CID 167447244

IUPACmethyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1CCOc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-7-6-15(12)9-14(16)17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBWOOXXWDGLYVTQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (PubChem CID 167447244) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
PubChem CID167447244
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1CCOc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-7-6-15(12)9-14(16)17-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBWOOXXWDGLYVTQ-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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 ≤ 104

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Related Compounds

14-(2-methoxy-2-oxoethyl)-2,5,8,11-tetraoxa-14-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-18-carboxylic acid
CID 171441561
2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 82339228
methyl 3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propanoate
CID 118225615
N-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-amine
CID 148995681
4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one
CID 59333197
1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-one
CID 39104157
methyl 2-[2-[2-(4-propan-2-ylphenoxy)acetyl]imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 43940134
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2-(7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)acetic acid
CID 84633183
3-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 170876312
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
CID 162748786

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (CID 167447244) is methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is COC(=O)CN1CCOc2cc(C(C)C)ccc21.
What is the InChIKey of methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The InChIKey is BWOOXXWDGLYVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)11-4-5-12-13(8-11)18-7-6-15(12)9-14(16)17-3/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 167447244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).