2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

C19H26ClNO3 — CID 4790141

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCC1CCCO1
InChIInChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h8-9,11,14,16H,1-7,10,12-13H2,(H,21,22)
InChIKeyPGCPQXARHXIRFM-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4790141) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4790141
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCC1CCCO1
InChIInChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h8-9,11,14,16H,1-7,10,12-13H2,(H,21,22)
InChIKeyPGCPQXARHXIRFM-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 4789101
2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2117470
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 52556678

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 4790141) is 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1C1CCCCC1)NCC1CCCO1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PGCPQXARHXIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h8-9,11,14,16H,1-7,10,12-13H2,(H,21,22).
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 351.87 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4790141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).