N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide

C13H19NO4 — CID 62334405

IUPACN-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO4/c1-10(15)8-14(2)13(16)9-18-12-6-4-11(17-3)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyWRDMVALJJHRZAW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.91
Rot. Bonds6

About N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide

N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide (PubChem CID 62334405) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
PubChem CID62334405
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO4/c1-10(15)8-14(2)13(16)9-18-12-6-4-11(17-3)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyWRDMVALJJHRZAW-UHFFFAOYSA-N
XLogP0.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 115267653
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide (CID 62334405) is N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide is COc1ccc(OCC(=O)N(C)CC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide?
The InChIKey is WRDMVALJJHRZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(15)8-14(2)13(16)9-18-12-6-4-11(17-3)5-7-12/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide?
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 62334405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).