2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone

C14H20N2O2 — CID 82340408

IUPAC2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
SMILESCCC1CN(CC)c2cc(C(=O)CN)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-3-11-9-16(4-2)12-7-10(13(17)8-15)5-6-14(12)18-11/h5-7,11H,3-4,8-9,15H2,1-2H3
InChIKeyYBWJUEPBNOCGBU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone

2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82340408) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
PubChem CID82340408
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
SMILESCCC1CN(CC)c2cc(C(=O)CN)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-3-11-9-16(4-2)12-7-10(13(17)8-15)5-6-14(12)18-11/h5-7,11H,3-4,8-9,15H2,1-2H3
InChIKeyYBWJUEPBNOCGBU-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340461
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
1-[2-ethyl-4-(3-hydroxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025517
4-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-one
CID 82340399
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340460
2-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340384
6-(2-aminoacetyl)-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82339792
4-[[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]methyl]benzamide
CID 17489542
(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanol
CID 82340404
1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340594
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone (CID 82340408) is 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone is CCC1CN(CC)c2cc(C(=O)CN)ccc2O1.
What is the InChIKey of 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is YBWJUEPBNOCGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-9-16(4-2)12-7-10(13(17)8-15)5-6-14(12)18-11/h5-7,11H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone?
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82340408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).