2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C19H22ClNO4 — CID 133224959

IUPAC2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO4/c1-12(17-11-16(23-3)9-10-18(17)24-4)21-19(22)13(2)25-15-7-5-14(20)6-8-15/h5-13H,1-4H3,(H,21,22)
InChIKeyLXCKEMLQCWJGNJ-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.00
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 133224959) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID133224959
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO4/c1-12(17-11-16(23-3)9-10-18(17)24-4)21-19(22)13(2)25-15-7-5-14(20)6-8-15/h5-13H,1-4H3,(H,21,22)
InChIKeyLXCKEMLQCWJGNJ-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
CID 55580167
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 133224959) is 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is LXCKEMLQCWJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-12(17-11-16(23-3)9-10-18(17)24-4)21-19(22)13(2)25-15-7-5-14(20)6-8-15/h5-13H,1-4H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 363.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133224959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).