3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide

C15H23ClN2O3 — CID 106277228

IUPAC3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,14(20)17-3)10-18-8-12(19)9-21-13-6-4-5-11(16)7-13/h4-7,12,18-19H,8-10H2,1-3H3,(H,17,20)
InChIKeyPNHPWYBHQGZSMM-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.44
Rot. Bonds8

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

3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106277228) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106277228
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,14(20)17-3)10-18-8-12(19)9-21-13-6-4-5-11(16)7-13/h4-7,12,18-19H,8-10H2,1-3H3,(H,17,20)
InChIKeyPNHPWYBHQGZSMM-UHFFFAOYSA-N
XLogP1.44
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
CID 106277568
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247000
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide (CID 106277228) is 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is PNHPWYBHQGZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,14(20)17-3)10-18-8-12(19)9-21-13-6-4-5-11(16)7-13/h4-7,12,18-19H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide?
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).