3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide

C21H26N2O4 — CID 113121299

IUPAC3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCc2ccccc2OC)C(C)=O)c1
InChIInChI=1S/C21H26N2O4/c1-16(24)23(13-11-17-7-4-5-10-20(17)27-3)14-12-21(25)22-18-8-6-9-19(15-18)26-2/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeyLIFZCRZJJPPLPB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.12
Rot. Bonds9

About 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 113121299) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
PubChem CID113121299
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCc2ccccc2OC)C(C)=O)c1
InChIInChI=1S/C21H26N2O4/c1-16(24)23(13-11-17-7-4-5-10-20(17)27-3)14-12-21(25)22-18-8-6-9-19(15-18)26-2/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeyLIFZCRZJJPPLPB-UHFFFAOYSA-N
XLogP3.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide (CID 113121299) is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(CCc2ccccc2OC)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is LIFZCRZJJPPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16(24)23(13-11-17-7-4-5-10-20(17)27-3)14-12-21(25)22-18-8-6-9-19(15-18)26-2/h4-10,15H,11-14H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide?
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113121299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).