N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide

C19H22ClNO4 — CID 55572968

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
SMILESCOc1cc(NC(=O)CCOc2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClNO4/c1-12-5-6-14(9-13(12)2)25-8-7-19(22)21-16-11-17(23-3)15(20)10-18(16)24-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyISXYOBRXXXSINL-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.38
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide (PubChem CID 55572968) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
PubChem CID55572968
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
SMILESCOc1cc(NC(=O)CCOc2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClNO4/c1-12-5-6-14(9-13(12)2)25-8-7-19(22)21-16-11-17(23-3)15(20)10-18(16)24-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyISXYOBRXXXSINL-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 38700799
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide (CID 55572968) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide is COc1cc(NC(=O)CCOc2ccc(C)c(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide?
The InChIKey is ISXYOBRXXXSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-12-5-6-14(9-13(12)2)25-8-7-19(22)21-16-11-17(23-3)15(20)10-18(16)24-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide has a molecular weight of 363.84 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 55572968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).