3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide

C18H22N2O2 — CID 109022468

IUPAC3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1ccc(CNCCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(16-6-4-3-5-7-16)18(21)12-13-19-14-15-8-10-17(22-2)11-9-15/h3-11,19H,12-14H2,1-2H3
InChIKeyIBQVCOPLJGMGBZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds7

About 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide

3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide (PubChem CID 109022468) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
PubChem CID109022468
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
SMILESCOc1ccc(CNCCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(16-6-4-3-5-7-16)18(21)12-13-19-14-15-8-10-17(22-2)11-9-15/h3-11,19H,12-14H2,1-2H3
InChIKeyIBQVCOPLJGMGBZ-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
CID 109025650
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
CID 113140488
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
3-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-1-methyl-1-phenylurea
CID 54492238
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide (CID 109022468) is 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide is COc1ccc(CNCCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide?
The InChIKey is IBQVCOPLJGMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(16-6-4-3-5-7-16)18(21)12-13-19-14-15-8-10-17(22-2)11-9-15/h3-11,19H,12-14H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide?
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 109022468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).