2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

C15H23ClN2O3 — CID 103839802

IUPAC2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11(21-13-8-6-5-7-12(13)16)14(19)17-9-15(2,20)10-18(3)4/h5-8,11,20H,9-10H2,1-4H3,(H,17,19)
InChIKeyBXSQJGCYNDKWSA-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.54
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (PubChem CID 103839802) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
PubChem CID103839802
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11(21-13-8-6-5-7-12(13)16)14(19)17-9-15(2,20)10-18(3)4/h5-8,11,20H,9-10H2,1-4H3,(H,17,19)
InChIKeyBXSQJGCYNDKWSA-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895634
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (CID 103839802) is 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The InChIKey is BXSQJGCYNDKWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11(21-13-8-6-5-7-12(13)16)14(19)17-9-15(2,20)10-18(3)4/h5-8,11,20H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide has a molecular weight of 314.81 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is sourced from PubChem (CID 103839802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).