1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one

C8H17NO3 — CID 107507543

IUPAC1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(C)C(C)CO
InChIInChI=1S/C8H17NO3/c1-7(5-10)9(2)4-8(11)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyTWUGBJRDJOOOHF-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.49
Rot. Bonds6

About 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one

1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one (PubChem CID 107507543) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
PubChem CID107507543
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(C)C(C)CO
InChIInChI=1S/C8H17NO3/c1-7(5-10)9(2)4-8(11)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyTWUGBJRDJOOOHF-UHFFFAOYSA-N
XLogP-0.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
CID 107507348
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
1-[butan-2-yl(methyl)amino]butan-2-one
CID 62039500
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
CID 104552544
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
1-methoxy-4-methylpentan-2-one
CID 13108539

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one?
The IUPAC name of 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one (CID 107507543) is 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one?
The canonical SMILES for 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one is COCC(=O)CN(C)C(C)CO.
What is the InChIKey of 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one?
The InChIKey is TWUGBJRDJOOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(5-10)9(2)4-8(11)6-12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one?
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one has a molecular weight of 175.23 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one is sourced from PubChem (CID 107507543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).