2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide

C12H17ClN2O3 — CID 60901406

IUPAC2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-14-12(17)7-15-6-10(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyNRAXWAYHBIHSMO-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.42
Rot. Bonds7

About 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide

2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide (PubChem CID 60901406) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
PubChem CID60901406
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-14-12(17)7-15-6-10(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyNRAXWAYHBIHSMO-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
CID 103108426
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(3-chlorophenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211470

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide (CID 60901406) is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide?
The InChIKey is NRAXWAYHBIHSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-14-12(17)7-15-6-10(16)8-18-11-4-2-3-9(13)5-11/h2-5,10,15-16H,6-8H2,1H3,(H,14,17).
What are the key properties of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide?
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide has a molecular weight of 272.73 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide is sourced from PubChem (CID 60901406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).