2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide

C13H20N2O3 — CID 60712036

IUPAC2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C13H20N2O3/c1-10-3-5-12(6-4-10)18-9-11(16)7-15-8-13(17)14-2/h3-6,11,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyGBLSIHQGWADPTI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.07
Rot. Bonds7

About 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide

2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide (PubChem CID 60712036) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
PubChem CID60712036
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C13H20N2O3/c1-10-3-5-12(6-4-10)18-9-11(16)7-15-8-13(17)14-2/h3-6,11,15-16H,7-9H2,1-2H3,(H,14,17)
InChIKeyGBLSIHQGWADPTI-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901590
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
CID 106277568
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909915
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide (CID 60712036) is 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)COc1ccc(C)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide?
The InChIKey is GBLSIHQGWADPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-3-5-12(6-4-10)18-9-11(16)7-15-8-13(17)14-2/h3-6,11,15-16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide?
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide is sourced from PubChem (CID 60712036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).