N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide

C9H19NO4 — CID 115765010

IUPACN-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)C(C)CO
InChIInChI=1S/C9H19NO4/c1-8(6-11)10(2)9(12)7-14-5-4-13-3/h8,11H,4-7H2,1-3H3
InChIKeyYFTBVTJBFHYBEY-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.51
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide

N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide (PubChem CID 115765010) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
PubChem CID115765010
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)C(C)CO
InChIInChI=1S/C9H19NO4/c1-8(6-11)10(2)9(12)7-14-5-4-13-3/h8,11H,4-7H2,1-3H3
InChIKeyYFTBVTJBFHYBEY-UHFFFAOYSA-N
XLogP-0.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(2-methoxyethoxy)acetamide
CID 103275016
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
CID 97098347
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
CID 104552544
N,N-dimethyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 172604090
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide (CID 115765010) is N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide is COCCOCC(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide?
The InChIKey is YFTBVTJBFHYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(6-11)10(2)9(12)7-14-5-4-13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide?
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide has a molecular weight of 205.25 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide is sourced from PubChem (CID 115765010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).