2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide

C13H20N2O4 — CID 60901229

IUPAC2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1ccccc1OC
InChIInChI=1S/C13H20N2O4/c1-14-13(17)8-15-7-10(16)9-19-12-6-4-3-5-11(12)18-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyCZEONFHCTYXYTQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.23
Rot. Bonds8

About 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide

2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide (PubChem CID 60901229) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
PubChem CID60901229
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1ccccc1OC
InChIInChI=1S/C13H20N2O4/c1-14-13(17)8-15-7-10(16)9-19-12-6-4-3-5-11(12)18-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyCZEONFHCTYXYTQ-UHFFFAOYSA-N
XLogP-0.23
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901590
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide
CID 12841766
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide (CID 60901229) is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)COc1ccccc1OC.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide?
The InChIKey is CZEONFHCTYXYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-13(17)8-15-7-10(16)9-19-12-6-4-3-5-11(12)18-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide?
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide has a molecular weight of 268.31 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide is sourced from PubChem (CID 60901229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).