3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide

C17H20N2O — CID 43601073

IUPAC3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-8-9-14(10-13(12)2)17(20)19-16-7-5-4-6-15(16)11-18-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyKRFMXRBFXNXGBU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds4

About 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide

3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601073) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID43601073
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-8-9-14(10-13(12)2)17(20)19-16-7-5-4-6-15(16)11-18-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyKRFMXRBFXNXGBU-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3,5-dimethoxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide;hydrochloride
CID 119437963
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide (CID 43601073) is 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is KRFMXRBFXNXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-8-9-14(10-13(12)2)17(20)19-16-7-5-4-6-15(16)11-18-3/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide?
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).