N-benzyl-N-ethyl-2-methylbenzamide

C17H19NO — CID 576969

IUPACN-benzyl-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-3-18(13-15-10-5-4-6-11-15)17(19)16-12-8-7-9-14(16)2/h4-12H,3,13H2,1-2H3
InChIKeyYDZKXFVWJQBRDV-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.66
Rot. Bonds4

About N-benzyl-N-ethyl-2-methylbenzamide

N-benzyl-N-ethyl-2-methylbenzamide (PubChem CID 576969) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methylbenzamide
PubChem CID576969
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-benzyl-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-3-18(13-15-10-5-4-6-11-15)17(19)16-12-8-7-9-14(16)2/h4-12H,3,13H2,1-2H3
InChIKeyYDZKXFVWJQBRDV-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methylbenzamide?
The IUPAC name of N-benzyl-N-ethyl-2-methylbenzamide (CID 576969) is N-benzyl-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccccc1C.
What is the InChIKey of N-benzyl-N-ethyl-2-methylbenzamide?
The InChIKey is YDZKXFVWJQBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-18(13-15-10-5-4-6-11-15)17(19)16-12-8-7-9-14(16)2/h4-12H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-methylbenzamide?
N-benzyl-N-ethyl-2-methylbenzamide has a molecular weight of 253.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 576969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).