2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide

C18H20ClNO4 — CID 848261

IUPAC2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C18H20ClNO4/c1-18(2,24-14-7-5-12(19)6-8-14)17(21)20-13-9-15(22-3)11-16(10-13)23-4/h5-11H,1-4H3,(H,20,21)
InChIKeyGOTHVHNQVTUVAZ-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 848261) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
PubChem CID848261
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C18H20ClNO4/c1-18(2,24-14-7-5-12(19)6-8-14)17(21)20-13-9-15(22-3)11-16(10-13)23-4/h5-11H,1-4H3,(H,20,21)
InChIKeyGOTHVHNQVTUVAZ-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
CID 95162921
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide (CID 848261) is 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(OC)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is GOTHVHNQVTUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-18(2,24-14-7-5-12(19)6-8-14)17(21)20-13-9-15(22-3)11-16(10-13)23-4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 349.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 848261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).