2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine

C15H26N2O4 — CID 159900953

IUPAC2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine
SMILESCC(C)N.CNC(=O)COc1ccccc1OCC(C)O
InChIInChI=1S/C12H17NO4.C3H9N/c1-9(14)7-16-10-5-3-4-6-11(10)17-8-12(15)13-2;1-3(2)4/h3-6,9,14H,7-8H2,1-2H3,(H,13,15);3H,4H2,1-2H3
InChIKeyNVYILAARIJLCEO-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine

2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine (PubChem CID 159900953) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine
PubChem CID159900953
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine
SMILESCC(C)N.CNC(=O)COc1ccccc1OCC(C)O
InChIInChI=1S/C12H17NO4.C3H9N/c1-9(14)7-16-10-5-3-4-6-11(10)17-8-12(15)13-2;1-3(2)4/h3-6,9,14H,7-8H2,1-2H3,(H,13,15);3H,4H2,1-2H3
InChIKeyNVYILAARIJLCEO-UHFFFAOYSA-N
XLogP0.92
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenoxy]-N-methylacetamide;hydrochloride
CID 45259676
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
tert-butyl-[(2S)-2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]azanium
CID 86308572
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine?
The IUPAC name of 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine (CID 159900953) is 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine is CC(C)N.CNC(=O)COc1ccccc1OCC(C)O.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine?
The InChIKey is NVYILAARIJLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4.C3H9N/c1-9(14)7-16-10-5-3-4-6-11(10)17-8-12(15)13-2;1-3(2)4/h3-6,9,14H,7-8H2,1-2H3,(H,13,15);3H,4H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine?
2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine has a molecular weight of 298.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)phenoxy]-N-methylacetamide;propan-2-amine is sourced from PubChem (CID 159900953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).