N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide

C19H22N2O4 — CID 6490974

IUPACN-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H22N2O4/c1-13(22)20-15-11-16(18(25-3)12-17(15)24-2)21-19(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFNSCEVBIYUXGJV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.23
Rot. Bonds7

About N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide

N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide (PubChem CID 6490974) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
PubChem CID6490974
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H22N2O4/c1-13(22)20-15-11-16(18(25-3)12-17(15)24-2)21-19(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFNSCEVBIYUXGJV-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
[3-methoxy-4-(3-phenylpropanoylamino)phenyl]boronic acid
CID 22347174
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
CID 3270673
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide (CID 6490974) is N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide is COc1cc(OC)c(NC(=O)CCc2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide?
The InChIKey is FNSCEVBIYUXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)20-15-11-16(18(25-3)12-17(15)24-2)21-19(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide?
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 6490974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).