1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one

C9H19NO3 — CID 107507348

IUPAC1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(CCO)C(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)10(4-5-11)6-9(12)7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyICUJXPKDYWMMEJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.10
Rot. Bonds7

About 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one

1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one (PubChem CID 107507348) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
PubChem CID107507348
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(CCO)C(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)10(4-5-11)6-9(12)7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyICUJXPKDYWMMEJ-UHFFFAOYSA-N
XLogP-0.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 107507220
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
CID 107507543
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
1-(3-bromo-4-methoxyphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 62029753

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one?
The IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one (CID 107507348) is 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one?
The canonical SMILES for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one is COCC(=O)CN(CCO)C(C)C.
What is the InChIKey of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one?
The InChIKey is ICUJXPKDYWMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)10(4-5-11)6-9(12)7-13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one?
1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one has a molecular weight of 189.25 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one is sourced from PubChem (CID 107507348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).