3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide

C18H22N2O2 — CID 119441047

IUPAC3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-19-13-15-4-3-5-16(12-15)20-18(21)11-8-14-6-9-17(22-2)10-7-14/h3-7,9-10,12,19H,8,11,13H2,1-2H3,(H,20,21)
InChIKeyBAGDYGJYUSTULE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide (PubChem CID 119441047) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
PubChem CID119441047
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-19-13-15-4-3-5-16(12-15)20-18(21)11-8-14-6-9-17(22-2)10-7-14/h3-7,9-10,12,19H,8,11,13H2,1-2H3,(H,20,21)
InChIKeyBAGDYGJYUSTULE-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
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N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide (CID 119441047) is 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide is CNCc1cccc(NC(=O)CCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The InChIKey is BAGDYGJYUSTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-13-15-4-3-5-16(12-15)20-18(21)11-8-14-6-9-17(22-2)10-7-14/h3-7,9-10,12,19H,8,11,13H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 119441047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).