N-(3,5-dimethylphenyl)-N-ethylbenzamide

C17H19NO — CID 52574489

IUPACN-(3,5-dimethylphenyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H19NO/c1-4-18(16-11-13(2)10-14(3)12-16)17(19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyHCRYGUXFRRGVCB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.97
Rot. Bonds3

About N-(3,5-dimethylphenyl)-N-ethylbenzamide

N-(3,5-dimethylphenyl)-N-ethylbenzamide (PubChem CID 52574489) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethylbenzamide
PubChem CID52574489
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(3,5-dimethylphenyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H19NO/c1-4-18(16-11-13(2)10-14(3)12-16)17(19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyHCRYGUXFRRGVCB-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethylbenzamide (CID 52574489) is N-(3,5-dimethylphenyl)-N-ethylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethylbenzamide is CCN(C(=O)c1ccccc1)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethylbenzamide?
The InChIKey is HCRYGUXFRRGVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-18(16-11-13(2)10-14(3)12-16)17(19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethylbenzamide?
N-(3,5-dimethylphenyl)-N-ethylbenzamide has a molecular weight of 253.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethylbenzamide is sourced from PubChem (CID 52574489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).