2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

C13H18Cl2N2O3 — CID 60909766

IUPAC2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-2-17-13(19)7-16-6-10(18)8-20-12-5-9(14)3-4-11(12)15/h3-5,10,16,18H,2,6-8H2,1H3,(H,17,19)
InChIKeyOCGQLUZHFCYIRM-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.46
Rot. Bonds8

About 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (PubChem CID 60909766) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
PubChem CID60909766
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC Name2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-2-17-13(19)7-16-6-10(18)8-20-12-5-9(14)3-4-11(12)15/h3-5,10,16,18H,2,6-8H2,1H3,(H,17,19)
InChIKeyOCGQLUZHFCYIRM-UHFFFAOYSA-N
XLogP1.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909211
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909915
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (CID 60909766) is 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is CCNC(=O)CNCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The InChIKey is OCGQLUZHFCYIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c1-2-17-13(19)7-16-6-10(18)8-20-12-5-9(14)3-4-11(12)15/h3-5,10,16,18H,2,6-8H2,1H3,(H,17,19).
What are the key properties of 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide has a molecular weight of 321.20 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is sourced from PubChem (CID 60909766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).