2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide

C15H23ClN2O3 — CID 103108426

IUPAC2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-18(3)15(20)11(2)17-9-13(19)10-21-14-7-5-6-12(16)8-14/h5-8,11,13,17,19H,4,9-10H2,1-3H3
InChIKeyUPYWOKCBMKMRNM-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.54
Rot. Bonds8

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

2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103108426) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103108426
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-18(3)15(20)11(2)17-9-13(19)10-21-14-7-5-6-12(16)8-14/h5-8,11,13,17,19H,4,9-10H2,1-3H3
InChIKeyUPYWOKCBMKMRNM-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide (CID 103108426) is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is UPYWOKCBMKMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-18(3)15(20)11(2)17-9-13(19)10-21-14-7-5-6-12(16)8-14/h5-8,11,13,17,19H,4,9-10H2,1-3H3.
What are the key properties of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide?
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).