2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C14H20ClNO2 — CID 79381431

IUPAC2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-4-16(10-14(2,3)18)13(17)9-11-5-7-12(15)8-6-11/h5-8,18H,4,9-10H2,1-3H3
InChIKeyYJPYMGCHDITPQY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79381431) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79381431
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-4-16(10-14(2,3)18)13(17)9-11-5-7-12(15)8-6-11/h5-8,18H,4,9-10H2,1-3H3
InChIKeyYJPYMGCHDITPQY-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387561
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596351
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 71820778

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79381431) is 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is YJPYMGCHDITPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-16(10-14(2,3)18)13(17)9-11-5-7-12(15)8-6-11/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79381431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).