2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

C14H20Cl2N2O3 — CID 60909088

IUPAC2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-9(2)18-13(20)7-17-6-10(19)8-21-14-11(15)4-3-5-12(14)16/h3-5,9-10,17,19H,6-8H2,1-2H3,(H,18,20)
InChIKeyDQWPDVTUMBITAA-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.85
Rot. Bonds8

About 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (PubChem CID 60909088) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
PubChem CID60909088
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-9(2)18-13(20)7-17-6-10(19)8-21-14-11(15)4-3-5-12(14)16/h3-5,9-10,17,19H,6-8H2,1-2H3,(H,18,20)
InChIKeyDQWPDVTUMBITAA-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 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 ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
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
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (CID 60909088) is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The InChIKey is DQWPDVTUMBITAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-9(2)18-13(20)7-17-6-10(19)8-21-14-11(15)4-3-5-12(14)16/h3-5,9-10,17,19H,6-8H2,1-2H3,(H,18,20).
What are the key properties of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide has a molecular weight of 335.23 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60909088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).