3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

C19H22ClNO4 — CID 108789414

IUPAC3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCOc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO4/c1-13(14-8-9-17(23-2)18(12-14)24-3)21-19(22)10-11-25-16-7-5-4-6-15(16)20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKeyNUAAOQFLRWJAQX-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.00
Rot. Bonds8

About 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 108789414) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID108789414
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCOc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO4/c1-13(14-8-9-17(23-2)18(12-14)24-3)21-19(22)10-11-25-16-7-5-4-6-15(16)20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKeyNUAAOQFLRWJAQX-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
CID 108789416
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
CID 55797839
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92646579
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 108789414) is 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)CCOc2ccccc2Cl)cc1OC.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is NUAAOQFLRWJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-13(14-8-9-17(23-2)18(12-14)24-3)21-19(22)10-11-25-16-7-5-4-6-15(16)20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 363.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 108789414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).