3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide

C23H30N2O4 — CID 113122091

IUPAC3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1OC
InChIInChI=1S/C23H30N2O4/c1-16(2)19-8-6-7-9-20(19)24-23(27)12-13-25(17(3)26)15-18-10-11-21(28-4)22(14-18)29-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,27)
InChIKeyYGBLTZYJWIYTHZ-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.20
Rot. Bonds9

About 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113122091) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113122091
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1OC
InChIInChI=1S/C23H30N2O4/c1-16(2)19-8-6-7-9-20(19)24-23(27)12-13-25(17(3)26)15-18-10-11-21(28-4)22(14-18)29-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,27)
InChIKeyYGBLTZYJWIYTHZ-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7959307
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
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-(furan-2-ylmethyl)propanamide
CID 113122049

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide (CID 113122091) is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide is COc1ccc(CN(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is YGBLTZYJWIYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)19-8-6-7-9-20(19)24-23(27)12-13-25(17(3)26)15-18-10-11-21(28-4)22(14-18)29-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,27).
What are the key properties of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 4.20, 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-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113122091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).