3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide

C14H20Cl2N2O3 — CID 106276235

IUPAC3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COc1c(Cl)cccc1Cl)C(N)=O
InChIInChI=1S/C14H20Cl2N2O3/c1-14(2,13(17)20)8-18-6-9(19)7-21-12-10(15)4-3-5-11(12)16/h3-5,9,18-19H,6-8H2,1-2H3,(H2,17,20)
InChIKeyRJPDIGGJJBFHJK-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.83
Rot. Bonds8

About 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide

3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide (PubChem CID 106276235) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
PubChem CID106276235
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COc1c(Cl)cccc1Cl)C(N)=O
InChIInChI=1S/C14H20Cl2N2O3/c1-14(2,13(17)20)8-18-6-9(19)7-21-12-10(15)4-3-5-11(12)16/h3-5,9,18-19H,6-8H2,1-2H3,(H2,17,20)
InChIKeyRJPDIGGJJBFHJK-UHFFFAOYSA-N
XLogP1.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide with MolForge

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Related Compounds

4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276298
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
CID 107412633

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide (CID 106276235) is 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide is CC(C)(CNCC(O)COc1c(Cl)cccc1Cl)C(N)=O.
What is the InChIKey of 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The InChIKey is RJPDIGGJJBFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-14(2,13(17)20)8-18-6-9(19)7-21-12-10(15)4-3-5-11(12)16/h3-5,9,18-19H,6-8H2,1-2H3,(H2,17,20).
What are the key properties of 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide has a molecular weight of 335.23 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).