2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

C20H24ClNO4 — CID 7818885

IUPAC2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)COc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C20H24ClNO4/c1-3-24-18-9-8-15(12-19(18)25-4-2)10-11-22-20(23)14-26-17-7-5-6-16(21)13-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyDKSFUXDHOWXVEW-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.88
Rot. Bonds10

About 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 7818885) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID7818885
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)COc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C20H24ClNO4/c1-3-24-18-9-8-15(12-19(18)25-4-2)10-11-22-20(23)14-26-17-7-5-6-16(21)13-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyDKSFUXDHOWXVEW-UHFFFAOYSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
ethyl N-[4-[2-[[2-(3-chlorophenoxy)acetyl]amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70623222

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (CID 7818885) is 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)COc2cccc(Cl)c2)cc1OCC.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is DKSFUXDHOWXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-3-24-18-9-8-15(12-19(18)25-4-2)10-11-22-20(23)14-26-17-7-5-6-16(21)13-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 377.87 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 7818885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).