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

C21H26N2O3 — CID 113119787

IUPAC3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1cc(C)cc(C)c1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15-11-16(2)13-19(12-15)22-21(25)9-10-23(17(3)24)14-18-7-5-6-8-20(18)26-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25)
InChIKeyQLPBOHNEFWFVNN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.69
Rot. Bonds7

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

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113119787) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID113119787
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1cc(C)cc(C)c1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15-11-16(2)13-19(12-15)22-21(25)9-10-23(17(3)24)14-18-7-5-6-8-20(18)26-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25)
InChIKeyQLPBOHNEFWFVNN-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119484
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide (CID 113119787) is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is COc1ccccc1CN(CCC(=O)Nc1cc(C)cc(C)c1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is QLPBOHNEFWFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-11-16(2)13-19(12-15)22-21(25)9-10-23(17(3)24)14-18-7-5-6-8-20(18)26-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide?
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113119787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).