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

C20H24N2O3 — CID 113128722

IUPAC3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCc1cccc(C)c1)C(C)=O
InChIInChI=1S/C20H24N2O3/c1-15-7-6-8-17(13-15)14-21-20(24)11-12-22(16(2)23)18-9-4-5-10-19(18)25-3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyKYLVLBPDZASIIO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.06
Rot. Bonds7

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

3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113128722) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113128722
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCc1cccc(C)c1)C(C)=O
InChIInChI=1S/C20H24N2O3/c1-15-7-6-8-17(13-15)14-21-20(24)11-12-22(16(2)23)18-9-4-5-10-19(18)25-3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyKYLVLBPDZASIIO-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
methyl 2-[acetyl-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131225
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113174218
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113133753
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 113128722) is 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide is COc1ccccc1N(CCC(=O)NCc1cccc(C)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is KYLVLBPDZASIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-7-6-8-17(13-15)14-21-20(24)11-12-22(16(2)23)18-9-4-5-10-19(18)25-3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.06, 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-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113128722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).