3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide

C19H22N2O3 — CID 113128720

IUPAC3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
SMILESCOc1ccccc1N(CCC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C19H22N2O3/c1-15(22)21(17-10-6-7-11-18(17)24-2)13-12-19(23)20-14-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyMMGUGHSZEPGICJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds7

About 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide

3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide (PubChem CID 113128720) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
PubChem CID113128720
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
SMILESCOc1ccccc1N(CCC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C19H22N2O3/c1-15(22)21(17-10-6-7-11-18(17)24-2)13-12-19(23)20-14-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyMMGUGHSZEPGICJ-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide (CID 113128720) is 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide is COc1ccccc1N(CCC(=O)NCc1ccccc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide?
The InChIKey is MMGUGHSZEPGICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(22)21(17-10-6-7-11-18(17)24-2)13-12-19(23)20-14-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide?
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide is sourced from PubChem (CID 113128720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).