3-[2-(dimethylamino)phenyl]-2-methylbenzamide

C16H18N2O — CID 69457619

IUPAC3-[2-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccccc1N(C)C
InChIInChI=1S/C16H18N2O/c1-11-12(8-6-9-13(11)16(17)19)14-7-4-5-10-15(14)18(2)3/h4-10H,1-3H3,(H2,17,19)
InChIKeyMCLSSMSNSMRCKD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds3

About 3-[2-(dimethylamino)phenyl]-2-methylbenzamide

3-[2-(dimethylamino)phenyl]-2-methylbenzamide (PubChem CID 69457619) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]-2-methylbenzamide
PubChem CID69457619
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[2-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccccc1N(C)C
InChIInChI=1S/C16H18N2O/c1-11-12(8-6-9-13(11)16(17)19)14-7-4-5-10-15(14)18(2)3/h4-10H,1-3H3,(H2,17,19)
InChIKeyMCLSSMSNSMRCKD-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of 3-[2-(dimethylamino)phenyl]-2-methylbenzamide (CID 69457619) is 3-[2-(dimethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]-2-methylbenzamide is Cc1c(C(N)=O)cccc1-c1ccccc1N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]-2-methylbenzamide?
The InChIKey is MCLSSMSNSMRCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-12(8-6-9-13(11)16(17)19)14-7-4-5-10-15(14)18(2)3/h4-10H,1-3H3,(H2,17,19).
What are the key properties of 3-[2-(dimethylamino)phenyl]-2-methylbenzamide?
3-[2-(dimethylamino)phenyl]-2-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 69457619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).