N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide

C13H17NO3 — CID 94262493

IUPACN-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-6-13(16)14-9-11(15)10-7-4-5-8-12(10)17-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,16)
InChIKeyVJEFRAVXYDMZBB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide

N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide (PubChem CID 94262493) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
PubChem CID94262493
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-3-6-13(16)14-9-11(15)10-7-4-5-8-12(10)17-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,16)
InChIKeyVJEFRAVXYDMZBB-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide (CID 94262493) is N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)c1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide?
The InChIKey is VJEFRAVXYDMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-6-13(16)14-9-11(15)10-7-4-5-8-12(10)17-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide?
N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide has a molecular weight of 235.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide is sourced from PubChem (CID 94262493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).