2-ethyl-N-methyl-N-(3-methylphenyl)butanamide

C14H21NO — CID 57495095

IUPAC2-ethyl-N-methyl-N-(3-methylphenyl)butanamide
SMILESCCC(CC)C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-5-12(6-2)14(16)15(4)13-9-7-8-11(3)10-13/h7-10,12H,5-6H2,1-4H3
InChIKeyXATDMWWMSDQXFD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.39
Rot. Bonds4

About 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide

2-ethyl-N-methyl-N-(3-methylphenyl)butanamide (PubChem CID 57495095) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(3-methylphenyl)butanamide
PubChem CID57495095
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-N-methyl-N-(3-methylphenyl)butanamide
SMILESCCC(CC)C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-5-12(6-2)14(16)15(4)13-9-7-8-11(3)10-13/h7-10,12H,5-6H2,1-4H3
InChIKeyXATDMWWMSDQXFD-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide (CID 57495095) is 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide is CCC(CC)C(=O)N(C)c1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide?
The InChIKey is XATDMWWMSDQXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-12(6-2)14(16)15(4)13-9-7-8-11(3)10-13/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide?
2-ethyl-N-methyl-N-(3-methylphenyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 57495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).