N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide

C18H20N2O3 — CID 51651956

IUPACN-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3/c1-13(21)19-16-12-15(9-10-17(16)23-2)20-18(22)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGJFLGEGDBUDEGF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.22
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 51651956) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
PubChem CID51651956
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3/c1-13(21)19-16-12-15(9-10-17(16)23-2)20-18(22)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGJFLGEGDBUDEGF-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 33308093
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide (CID 51651956) is N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)CCc2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is GJFLGEGDBUDEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)19-16-12-15(9-10-17(16)23-2)20-18(22)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide?
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 51651956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).