N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide

C19H23NO3 — CID 113199333

IUPACN-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C19H23NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)20-19(23)13-8-9-16(21)17(22)10-13/h5-12,21-22H,1-4H3,(H,20,23)
InChIKeyKOTHAIFRFRIUPW-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.60
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide

N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide (PubChem CID 113199333) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
PubChem CID113199333
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C19H23NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)20-19(23)13-8-9-16(21)17(22)10-13/h5-12,21-22H,1-4H3,(H,20,23)
InChIKeyKOTHAIFRFRIUPW-UHFFFAOYSA-N
XLogP4.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide (CID 113199333) is N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide?
The InChIKey is KOTHAIFRFRIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)20-19(23)13-8-9-16(21)17(22)10-13/h5-12,21-22H,1-4H3,(H,20,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide?
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 113199333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).