N-tert-butyl-9H-xanthene-9-carboxamide

C18H19NO2 — CID 718106

IUPACN-tert-butyl-9H-xanthene-9-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,3)19-17(20)16-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)16/h4-11,16H,1-3H3,(H,19,20)
InChIKeyLBYLSTHLFWFOBR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.84
Rot. Bonds1

About N-tert-butyl-9H-xanthene-9-carboxamide

N-tert-butyl-9H-xanthene-9-carboxamide (PubChem CID 718106) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-tert-butyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-9H-xanthene-9-carboxamide
PubChem CID718106
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-tert-butyl-9H-xanthene-9-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,3)19-17(20)16-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)16/h4-11,16H,1-3H3,(H,19,20)
InChIKeyLBYLSTHLFWFOBR-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-tert-butyl-9H-xanthene-9-carboxamide (CID 718106) is N-tert-butyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-tert-butyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-tert-butyl-9H-xanthene-9-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-tert-butyl-9H-xanthene-9-carboxamide?
The InChIKey is LBYLSTHLFWFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)19-17(20)16-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)16/h4-11,16H,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-9H-xanthene-9-carboxamide?
N-tert-butyl-9H-xanthene-9-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 718106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).