4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one

C14H20N2O2 — CID 82142313

IUPAC4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)N(CCN)C(=O)C(CC)O2
InChIInChI=1S/C14H20N2O2/c1-3-10-5-6-13-11(9-10)16(8-7-15)14(17)12(4-2)18-13/h5-6,9,12H,3-4,7-8,15H2,1-2H3
InChIKeyKSAQNYRYUWAIRR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds4

About 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one

4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one (PubChem CID 82142313) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
PubChem CID82142313
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
SMILESCCc1ccc2c(c1)N(CCN)C(=O)C(CC)O2
InChIInChI=1S/C14H20N2O2/c1-3-10-5-6-13-11(9-10)16(8-7-15)14(17)12(4-2)18-13/h5-6,9,12H,3-4,7-8,15H2,1-2H3
InChIKeyKSAQNYRYUWAIRR-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
2-ethyl-6-(hydroxymethyl)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 82338367
2-ethyl-4-propyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339889
4-(2-amino-2-methylpropyl)-6-chloro-2-ethyl-1,4-benzoxazin-3-one
CID 82143212
4-(3-aminopropyl)-2-ethyl-7-methyl-1,4-benzoxazin-3-one
CID 82142370
6-(aminomethyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82063129
6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82019372
7-(aminomethyl)-4-[3-(dimethylamino)propyl]-2-ethyl-1,4-benzoxazin-3-one
CID 82338672
2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
4-(2-amino-2-methylpropyl)-6-tert-butyl-2-ethyl-1,4-benzoxazin-3-one
CID 82143232
6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82339879
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one (CID 82142313) is 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one is CCc1ccc2c(c1)N(CCN)C(=O)C(CC)O2.
What is the InChIKey of 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one?
The InChIKey is KSAQNYRYUWAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-5-6-13-11(9-10)16(8-7-15)14(17)12(4-2)18-13/h5-6,9,12H,3-4,7-8,15H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one?
4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82142313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).