2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone

C13H26N2O3 — CID 78963901

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCN(CC(=O)N1CCOC(C)C1)CC(C)(C)O
InChIInChI=1S/C13H26N2O3/c1-5-14(10-13(3,4)17)9-12(16)15-6-7-18-11(2)8-15/h11,17H,5-10H2,1-4H3
InChIKeyIUSXYJZVNKIJRL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 78963901) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID78963901
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCN(CC(=O)N1CCOC(C)C1)CC(C)(C)O
InChIInChI=1S/C13H26N2O3/c1-5-14(10-13(3,4)17)9-12(16)15-6-7-18-11(2)8-15/h11,17H,5-10H2,1-4H3
InChIKeyIUSXYJZVNKIJRL-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 115666525
2-[(4-aminocyclohexyl)-ethylamino]-1-(2-methylmorpholin-4-yl)ethanone
CID 79116387
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94061744
2-[cyclopropyl(3-methylbutyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 47025083
2-[ethyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 46594883
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone (CID 78963901) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone is CCN(CC(=O)N1CCOC(C)C1)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is IUSXYJZVNKIJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-14(10-13(3,4)17)9-12(16)15-6-7-18-11(2)8-15/h11,17H,5-10H2,1-4H3.
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 78963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).