N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide

C20H22ClNO4 — CID 112803756

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22ClNO4/c1-22(9-10-24-17-4-2-3-16(21)14-17)20(23)8-6-15-5-7-18-19(13-15)26-12-11-25-18/h2-5,7,13-14H,6,8-12H2,1H3
InChIKeyCPFOKDJDHHETPO-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide

N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide (PubChem CID 112803756) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
PubChem CID112803756
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22ClNO4/c1-22(9-10-24-17-4-2-3-16(21)14-17)20(23)8-6-15-5-7-18-19(13-15)26-12-11-25-18/h2-5,7,13-14H,6,8-12H2,1H3
InChIKeyCPFOKDJDHHETPO-UHFFFAOYSA-N
XLogP3.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
N-[2-(3-chlorophenoxy)ethyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-methyl-4-oxobutanamide
CID 56564384
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(4-phenylbutyl)propanamide
CID 112837372
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654
N-[(3-chlorophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylpropanamide
CID 86944256
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide (CID 112803756) is N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide is CN(CCOc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide?
The InChIKey is CPFOKDJDHHETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-22(9-10-24-17-4-2-3-16(21)14-17)20(23)8-6-15-5-7-18-19(13-15)26-12-11-25-18/h2-5,7,13-14H,6,8-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide?
N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide has a molecular weight of 375.85 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide is sourced from PubChem (CID 112803756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).