N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide

C13H17NO3 — CID 53360340

IUPACN-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)7-13(17)14-8-12(16)10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)
InChIKeyRTRPDDKCVKBLPF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide

N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide (PubChem CID 53360340) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide
PubChem CID53360340
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)7-13(17)14-8-12(16)10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)
InChIKeyRTRPDDKCVKBLPF-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.74
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]-3-methylbutanamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide (CID 53360340) is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is RTRPDDKCVKBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)7-13(17)14-8-12(16)10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide?
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 235.28 g/mol, XLogP of 1.74, 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]-3-methylbutanamide is sourced from PubChem (CID 53360340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).