3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide

C21H26N2O5 — CID 113119822

IUPAC3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(Cc2ccccc2OC)C(C)=O)c1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(14-16-7-5-6-8-19(16)27-3)12-11-21(25)22-18-13-17(26-2)9-10-20(18)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyMHLFKZPKQCUPHW-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.09
Rot. Bonds9

About 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 113119822) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID113119822
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(Cc2ccccc2OC)C(C)=O)c1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(14-16-7-5-6-8-19(16)27-3)12-11-21(25)22-18-13-17(26-2)9-10-20(18)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyMHLFKZPKQCUPHW-UHFFFAOYSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
2-(N-acetyl-2-ethylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113169147
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide (CID 113119822) is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCN(Cc2ccccc2OC)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is MHLFKZPKQCUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15(24)23(14-16-7-5-6-8-19(16)27-3)12-11-21(25)22-18-13-17(26-2)9-10-20(18)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide?
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113119822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).