2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide

C13H20N2O3 — CID 47397786

IUPAC2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1CNCC(C)O
InChIInChI=1S/C13H20N2O3/c1-10(16)7-15-8-11-5-3-4-6-12(11)18-9-13(17)14-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyTWKARIDCCPNYGK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide

2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 47397786) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID47397786
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1CNCC(C)O
InChIInChI=1S/C13H20N2O3/c1-10(16)7-15-8-11-5-3-4-6-12(11)18-9-13(17)14-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyTWKARIDCCPNYGK-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-methyl-2-[2-[[2-[(S)-phenylsulfinyl]ethylamino]methyl]phenoxy]acetamide
CID 95310566
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine
CID 159900953
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 2979035
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide (CID 47397786) is 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccccc1CNCC(C)O.
What is the InChIKey of 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is TWKARIDCCPNYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(16)7-15-8-11-5-3-4-6-12(11)18-9-13(17)14-2/h3-6,10,15-16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide?
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 47397786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).