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

C21H26N2O3 — CID 113118403

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-16-8-4-5-10-19(16)15-23(17(2)24)13-12-21(25)22-14-18-9-6-7-11-20(18)26-3/h4-11H,12-15H2,1-3H3,(H,22,25)
InChIKeyIEGNIESZIYVEQK-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.06
Rot. Bonds8

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

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113118403) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113118403
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-16-8-4-5-10-19(16)15-23(17(2)24)13-12-21(25)22-14-18-9-6-7-11-20(18)26-3/h4-11H,12-15H2,1-3H3,(H,22,25)
InChIKeyIEGNIESZIYVEQK-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113119269
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113118403) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(Cc1ccccc1C)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is IEGNIESZIYVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-8-4-5-10-19(16)15-23(17(2)24)13-12-21(25)22-14-18-9-6-7-11-20(18)26-3/h4-11H,12-15H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113118403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).