N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide

C20H23NO3 — CID 147906172

IUPACN-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
SMILESCOc1ccc(C(=O)CCc2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H23NO3/c1-14(2)20(23)21-17-13-16(10-12-19(17)24-3)18(22)11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23)
InChIKeyIFFQHIVJVVXWGK-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds7

About N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide

N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide (PubChem CID 147906172) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
PubChem CID147906172
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
SMILESCOc1ccc(C(=O)CCc2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H23NO3/c1-14(2)20(23)21-17-13-16(10-12-19(17)24-3)18(22)11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23)
InChIKeyIFFQHIVJVVXWGK-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-[4-methoxy-3-(methylsulfanylamino)phenyl]-5-(2-phenylethylamino)pentan-1-one
CID 142261072
N-[2,5-dimethoxy-4-(2-phenylethylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 1428025
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
CID 157277660
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
1-(4-methoxy-3-phenylphenyl)-5-phenylpentan-1-one
CID 24989559
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide (CID 147906172) is N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide is COc1ccc(C(=O)CCc2ccccc2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide?
The InChIKey is IFFQHIVJVVXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)20(23)21-17-13-16(10-12-19(17)24-3)18(22)11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide?
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 147906172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).