3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide

C18H20N2O3 — CID 17439563

IUPAC3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-19-18(22)14-4-3-5-15(12-14)20-17(21)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLPSHUQPAKZKCLY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide

3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide (PubChem CID 17439563) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
PubChem CID17439563
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-19-18(22)14-4-3-5-15(12-14)20-17(21)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLPSHUQPAKZKCLY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide (CID 17439563) is 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is LPSHUQPAKZKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-18(22)14-4-3-5-15(12-14)20-17(21)11-8-13-6-9-16(23-2)10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 17439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).