2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

C14H21NO2 — CID 882141

IUPAC2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12(5-2)14(16)15-10-11-6-8-13(17-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyUVDONQOCCHHZTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.75
Rot. Bonds6

About 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide

2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 882141) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID882141
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12(5-2)14(16)15-10-11-6-8-13(17-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyUVDONQOCCHHZTJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide (CID 882141) is 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is UVDONQOCCHHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12(5-2)14(16)15-10-11-6-8-13(17-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide?
2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 882141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).