3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide

C13H19NO3 — CID 141327038

IUPAC3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide
SMILESCC(C)(C)c1c(O)ccc(CCC(N)=O)c1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)11-9(15)6-4-8(12(11)17)5-7-10(14)16/h4,6,15,17H,5,7H2,1-3H3,(H2,14,16)
InChIKeyJPWGRWBHPNAMFD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds3

About 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide

3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide (PubChem CID 141327038) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide
PubChem CID141327038
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide
SMILESCC(C)(C)c1c(O)ccc(CCC(N)=O)c1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)11-9(15)6-4-8(12(11)17)5-7-10(14)16/h4,6,15,17H,5,7H2,1-3H3,(H2,14,16)
InChIKeyJPWGRWBHPNAMFD-UHFFFAOYSA-N
XLogP1.81
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide (CID 141327038) is 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide is CC(C)(C)c1c(O)ccc(CCC(N)=O)c1O.
What is the InChIKey of 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide?
The InChIKey is JPWGRWBHPNAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)11-9(15)6-4-8(12(11)17)5-7-10(14)16/h4,6,15,17H,5,7H2,1-3H3,(H2,14,16).
What are the key properties of 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide?
3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2,4-dihydroxyphenyl)propanamide is sourced from PubChem (CID 141327038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).