3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide

C20H24N2O3 — CID 113128790

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C20H24N2O3/c1-4-16-9-5-6-10-17(16)21-20(24)13-14-22(15(2)23)18-11-7-8-12-19(18)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyHRBGEDYFKMBUCK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.64
Rot. Bonds7

About 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113128790) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113128790
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C20H24N2O3/c1-4-16-9-5-6-10-17(16)21-20(24)13-14-22(15(2)23)18-11-7-8-12-19(18)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyHRBGEDYFKMBUCK-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
ethyl 2-[acetyl-[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 113134619
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
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-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide (CID 113128790) is 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OC.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is HRBGEDYFKMBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-16-9-5-6-10-17(16)21-20(24)13-14-22(15(2)23)18-11-7-8-12-19(18)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.64, 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-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113128790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).