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

C18H22N2O — CID 106910048

IUPACN-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCNCc1ccc(NC(=O)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-3-5-15(6-4-14)9-12-18(21)20-17-10-7-16(8-11-17)13-19-2/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,21)
InChIKeySYIYIOLKRGNASE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.29
Rot. Bonds6

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

N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 106910048) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID106910048
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCNCc1ccc(NC(=O)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-3-5-15(6-4-14)9-12-18(21)20-17-10-7-16(8-11-17)13-19-2/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,21)
InChIKeySYIYIOLKRGNASE-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
tert-butyl N-[3-[4-[[3-(4-methylphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920578
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide (CID 106910048) is N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide is CNCc1ccc(NC(=O)CCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is SYIYIOLKRGNASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-3-5-15(6-4-14)9-12-18(21)20-17-10-7-16(8-11-17)13-19-2/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide?
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 106910048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).