N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide

C12H15NO3 — CID 53360341

IUPACN-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-2-3-12(16)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,16)
InChIKeyCLIQWBFKECNQNU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide

N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide (PubChem CID 53360341) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide
PubChem CID53360341
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-2-3-12(16)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,16)
InChIKeyCLIQWBFKECNQNU-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide (CID 53360341) is N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The InChIKey is CLIQWBFKECNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-3-12(16)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,16).
What are the key properties of N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide has a molecular weight of 221.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide is sourced from PubChem (CID 53360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).