3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide

C18H21NO3 — CID 100789389

IUPAC3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-13-7-9-14(10-8-13)19-18(20)12-11-15-16(21-2)5-4-6-17(15)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyMNFCNRIZDULCBY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds6

About 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide

3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide (PubChem CID 100789389) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
PubChem CID100789389
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-13-7-9-14(10-8-13)19-18(20)12-11-15-16(21-2)5-4-6-17(15)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyMNFCNRIZDULCBY-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
ethyl 2-[4-[3-(2,6-dimethoxyphenyl)propanoylamino]phenyl]acetate
CID 100789290
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
butyl 4-[3-(2,6-dimethoxyphenyl)propanoylamino]benzoate
CID 100789605
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
CID 100789335
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide (CID 100789389) is 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide is COc1cccc(OC)c1CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is MNFCNRIZDULCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-7-9-14(10-8-13)19-18(20)12-11-15-16(21-2)5-4-6-17(15)22-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 100789389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).