N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide

C17H20N2O — CID 37243297

IUPACN-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-4-8-15(9-5-13)17(20)18-16-10-6-14(7-11-16)12-19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNROPBOJTKCFMAM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.31
Rot. Bonds4

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

N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide (PubChem CID 37243297) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
PubChem CID37243297
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-4-8-15(9-5-13)17(20)18-16-10-6-14(7-11-16)12-19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNROPBOJTKCFMAM-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide (CID 37243297) is N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide?
The InChIKey is NROPBOJTKCFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-4-8-15(9-5-13)17(20)18-16-10-6-14(7-11-16)12-19(2)3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide?
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 37243297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).