N-benzyl-N,3-dimethylbenzamide

C16H17NO — CID 669079

IUPACN-benzyl-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-7-6-10-15(11-13)16(18)17(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyJKZAMMGRYHTBNY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.27
Rot. Bonds3

About N-benzyl-N,3-dimethylbenzamide

N-benzyl-N,3-dimethylbenzamide (PubChem CID 669079) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-benzyl-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethylbenzamide
PubChem CID669079
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-benzyl-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-7-6-10-15(11-13)16(18)17(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyJKZAMMGRYHTBNY-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethylbenzamide?
The IUPAC name of N-benzyl-N,3-dimethylbenzamide (CID 669079) is N-benzyl-N,3-dimethylbenzamide.
What is the SMILES notation for N-benzyl-N,3-dimethylbenzamide?
The canonical SMILES for N-benzyl-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N,3-dimethylbenzamide?
The InChIKey is JKZAMMGRYHTBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-7-6-10-15(11-13)16(18)17(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N,3-dimethylbenzamide?
N-benzyl-N,3-dimethylbenzamide has a molecular weight of 239.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethylbenzamide is sourced from PubChem (CID 669079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).