2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C20H22ClNO4 — CID 41444899

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H22ClNO4/c1-14-10-15(21)7-8-19(14)26-13-20(23)22-16-4-2-5-17(11-16)25-12-18-6-3-9-24-18/h2,4-5,7-8,10-11,18H,3,6,9,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyDJAWKJGZKMNDMC-SFHVURJKSA-N
MW375.85 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 41444899) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID41444899
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H22ClNO4/c1-14-10-15(21)7-8-19(14)26-13-20(23)22-16-4-2-5-17(11-16)25-12-18-6-3-9-24-18/h2,4-5,7-8,10-11,18H,3,6,9,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyDJAWKJGZKMNDMC-SFHVURJKSA-N
XLogP4.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802200
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 41444899) is 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is DJAWKJGZKMNDMC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-14-10-15(21)7-8-19(14)26-13-20(23)22-16-4-2-5-17(11-16)25-12-18-6-3-9-24-18/h2,4-5,7-8,10-11,18H,3,6,9,12-13H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 375.85 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 41444899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).