2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

C15H22ClNO3 — CID 103899485

IUPAC2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-15(2,8-3-9-18)11-17-14(19)10-20-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyCCEOPKCZKPKDSZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 103899485) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID103899485
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-15(2,8-3-9-18)11-17-14(19)10-20-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyCCEOPKCZKPKDSZ-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
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-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899529
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
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
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (CID 103899485) is 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is CC(C)(CCCO)CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is CCEOPKCZKPKDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-15(2,8-3-9-18)11-17-14(19)10-20-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 103899485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).