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

C22H28N2O4 — CID 113122053

IUPAC3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CN(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-16-5-7-18(8-6-16)14-23-22(26)11-12-24(17(2)25)15-19-9-10-20(27-3)21(13-19)28-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyGASQVLFVBNYKEJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.07
Rot. Bonds9

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

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113122053) 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-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113122053
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CN(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-16-5-7-18(8-6-16)14-23-22(26)11-12-24(17(2)25)15-19-9-10-20(27-3)21(13-19)28-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyGASQVLFVBNYKEJ-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113131726
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113130831
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (CID 113122053) is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(CN(CCC(=O)NCc2ccc(C)cc2)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GASQVLFVBNYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-5-7-18(8-6-16)14-23-22(26)11-12-24(17(2)25)15-19-9-10-20(27-3)21(13-19)28-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.07, 9 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113122053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).