3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide

C19H22N2O3 — CID 113123854

IUPAC3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-17(13-14)21(15(2)22)12-11-19(23)20-16-7-9-18(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyBETDXANHPUULSG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds6

About 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113123854) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113123854
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-17(13-14)21(15(2)22)12-11-19(23)20-16-7-9-18(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyBETDXANHPUULSG-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide (CID 113123854) is 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is BETDXANHPUULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-4-6-17(13-14)21(15(2)22)12-11-19(23)20-16-7-9-18(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113123854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).