2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide

C13H20N2O3 — CID 62016324

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-15(8-12(16)10-18-2)9-13(17)14-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,14,17)
InChIKeyIGKCJOLUZDFELW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.56
Rot. Bonds7

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide (PubChem CID 62016324) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
PubChem CID62016324
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-15(8-12(16)10-18-2)9-13(17)14-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,14,17)
InChIKeyIGKCJOLUZDFELW-UHFFFAOYSA-N
XLogP0.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 62016325
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014016
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015152
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 63760310

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide (CID 62016324) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide is COCC(O)CN(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide?
The InChIKey is IGKCJOLUZDFELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(8-12(16)10-18-2)9-13(17)14-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,14,17).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide is sourced from PubChem (CID 62016324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).