N-[(dimethylamino)methyl]-2-methylbenzamide

C11H16N2O — CID 67624413

IUPACN-[(dimethylamino)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCN(C)C
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)11(14)12-8-13(2)3/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyXGYPQTFWSRTONX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.24
Rot. Bonds3

About N-[(dimethylamino)methyl]-2-methylbenzamide

N-[(dimethylamino)methyl]-2-methylbenzamide (PubChem CID 67624413) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-2-methylbenzamide
PubChem CID67624413
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(dimethylamino)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCN(C)C
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)11(14)12-8-13(2)3/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyXGYPQTFWSRTONX-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(dimethylamino)methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
N-hexyl-2-methylbenzamide
CID 3017102
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968

Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-2-methylbenzamide?
The IUPAC name of N-[(dimethylamino)methyl]-2-methylbenzamide (CID 67624413) is N-[(dimethylamino)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(dimethylamino)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-2-methylbenzamide?
The InChIKey is XGYPQTFWSRTONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-6-4-5-7-10(9)11(14)12-8-13(2)3/h4-7H,8H2,1-3H3,(H,12,14).
What are the key properties of N-[(dimethylamino)methyl]-2-methylbenzamide?
N-[(dimethylamino)methyl]-2-methylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-2-methylbenzamide is sourced from PubChem (CID 67624413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).