2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide

C14H20ClNO3 — CID 65113681

IUPAC2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyALUYKDSEINNVHM-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.39
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide

2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65113681) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65113681
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyALUYKDSEINNVHM-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65113681) is 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is ALUYKDSEINNVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65113681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).