N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide

C18H22N2O2 — CID 9305214

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-10-17(22-4)16(11-13)18(21)19-12-14-6-8-15(9-7-14)20(2)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyBHMHOLZEYULICQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.00
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide (PubChem CID 9305214) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
PubChem CID9305214
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-10-17(22-4)16(11-13)18(21)19-12-14-6-8-15(9-7-14)20(2)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyBHMHOLZEYULICQ-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[[4-(dimethylamino)phenyl]methyl]-5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxybenzamide
CID 15487783
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 55746600
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide (CID 9305214) is N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide?
The InChIKey is BHMHOLZEYULICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-10-17(22-4)16(11-13)18(21)19-12-14-6-8-15(9-7-14)20(2)3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 9305214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).