2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C14H20N2O3 — CID 82260960

IUPAC2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC1CNc2cc(C(=O)CN(C)CCO)ccc2O1
InChIInChI=1S/C14H20N2O3/c1-10-8-15-12-7-11(3-4-14(12)19-10)13(18)9-16(2)5-6-17/h3-4,7,10,15,17H,5-6,8-9H2,1-2H3
InChIKeyNIEBNOOFNIJTRF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82260960) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82260960
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC1CNc2cc(C(=O)CN(C)CCO)ccc2O1
InChIInChI=1S/C14H20N2O3/c1-10-8-15-12-7-11(3-4-14(12)19-10)13(18)9-16(2)5-6-17/h3-4,7,10,15,17H,5-6,8-9H2,1-2H3
InChIKeyNIEBNOOFNIJTRF-UHFFFAOYSA-N
XLogP0.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261643
2-[[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]propanoic acid
CID 82261647
2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261663
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82260944
2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261602
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 82260924
1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82354854
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82260960) is 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is CC1CNc2cc(C(=O)CN(C)CCO)ccc2O1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is NIEBNOOFNIJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-15-12-7-11(3-4-14(12)19-10)13(18)9-16(2)5-6-17/h3-4,7,10,15,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82260960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).