2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide

C14H20ClNO3 — CID 65114505

IUPAC2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-14(3,18)9-16-13(17)10(2)19-12-8-6-5-7-11(12)15/h5-8,10,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyDEFQHRWTMHCCPW-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.38
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide

2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide (PubChem CID 65114505) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
PubChem CID65114505
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-14(3,18)9-16-13(17)10(2)19-12-8-6-5-7-11(12)15/h5-8,10,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyDEFQHRWTMHCCPW-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839802
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895634
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
CID 95284849
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
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
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide (CID 65114505) is 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide is CCC(C)(O)CNC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
The InChIKey is DEFQHRWTMHCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-14(3,18)9-16-13(17)10(2)19-12-8-6-5-7-11(12)15/h5-8,10,18H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide?
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide has a molecular weight of 285.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 65114505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).