N-butyl-N-ethyl-2-methylbenzamide

C14H21NO — CID 26794263

IUPACN-butyl-N-ethyl-2-methylbenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-6-11-15(5-2)14(16)13-10-8-7-9-12(13)3/h7-10H,4-6,11H2,1-3H3
InChIKeyVOTUIXHFUVALJX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds5

About N-butyl-N-ethyl-2-methylbenzamide

N-butyl-N-ethyl-2-methylbenzamide (PubChem CID 26794263) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-methylbenzamide
PubChem CID26794263
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-butyl-N-ethyl-2-methylbenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-6-11-15(5-2)14(16)13-10-8-7-9-12(13)3/h7-10H,4-6,11H2,1-3H3
InChIKeyVOTUIXHFUVALJX-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-methylbenzamide?
The IUPAC name of N-butyl-N-ethyl-2-methylbenzamide (CID 26794263) is N-butyl-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-butyl-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-butyl-N-ethyl-2-methylbenzamide is CCCCN(CC)C(=O)c1ccccc1C.
What is the InChIKey of N-butyl-N-ethyl-2-methylbenzamide?
The InChIKey is VOTUIXHFUVALJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-11-15(5-2)14(16)13-10-8-7-9-12(13)3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-methylbenzamide?
N-butyl-N-ethyl-2-methylbenzamide has a molecular weight of 219.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 26794263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).