3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide

C22H28N2O4 — CID 113122084

IUPAC3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-10-16(2)12-19(11-15)23-22(26)8-9-24(17(3)25)14-18-6-7-20(27-4)21(13-18)28-5/h6-7,10-13H,8-9,14H2,1-5H3,(H,23,26)
InChIKeyJHZJORJEQOWGHH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.70
Rot. Bonds8

About 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113122084) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID113122084
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-10-16(2)12-19(11-15)23-22(26)8-9-24(17(3)25)14-18-6-7-20(27-4)21(13-18)28-5/h6-7,10-13H,8-9,14H2,1-5H3,(H,23,26)
InChIKeyJHZJORJEQOWGHH-UHFFFAOYSA-N
XLogP3.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (CID 113122084) is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is COc1ccc(CN(CCC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is JHZJORJEQOWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-10-16(2)12-19(11-15)23-22(26)8-9-24(17(3)25)14-18-6-7-20(27-4)21(13-18)28-5/h6-7,10-13H,8-9,14H2,1-5H3,(H,23,26).
What are the key properties of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113122084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).