2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide

C14H21NO2 — CID 134609342

IUPAC2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-11(6-2)14(16)15(3)12-8-7-9-13(10-12)17-4/h7-11H,5-6H2,1-4H3
InChIKeyJUASEBCZSKBGMZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide

2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide (PubChem CID 134609342) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide
PubChem CID134609342
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-11(6-2)14(16)15(3)12-8-7-9-13(10-12)17-4/h7-11H,5-6H2,1-4H3
InChIKeyJUASEBCZSKBGMZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide (CID 134609342) is 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide is CCC(CC)C(=O)N(C)c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide?
The InChIKey is JUASEBCZSKBGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(6-2)14(16)15(3)12-8-7-9-13(10-12)17-4/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide?
2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 134609342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).