2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C15H20ClNO3 — CID 114630844

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C15H20ClNO3/c1-9-6-10(16)4-5-11(9)20-8-14(19)17-12-7-13(18)15(12,2)3/h4-6,12-13,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyPPBQKCWFEIIWBP-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 114630844) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID114630844
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C15H20ClNO3/c1-9-6-10(16)4-5-11(9)20-8-14(19)17-12-7-13(18)15(12,2)3/h4-6,12-13,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyPPBQKCWFEIIWBP-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631346
2-(4-chloro-2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 870399
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-chloro-2-methylphenoxy)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91764048
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 114630844) is 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is PPBQKCWFEIIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-9-6-10(16)4-5-11(9)20-8-14(19)17-12-7-13(18)15(12,2)3/h4-6,12-13,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 114630844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).