N-propan-2-yl-9H-xanthene-9-carboxamide

C17H17NO2 — CID 718111

IUPACN-propan-2-yl-9H-xanthene-9-carboxamide
SMILESCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO2/c1-11(2)18-17(19)16-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3,(H,18,19)
InChIKeyUMWJJFZQCQXIID-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.45
Rot. Bonds2

About N-propan-2-yl-9H-xanthene-9-carboxamide

N-propan-2-yl-9H-xanthene-9-carboxamide (PubChem CID 718111) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-propan-2-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-9H-xanthene-9-carboxamide
PubChem CID718111
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-propan-2-yl-9H-xanthene-9-carboxamide
SMILESCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO2/c1-11(2)18-17(19)16-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3,(H,18,19)
InChIKeyUMWJJFZQCQXIID-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-propan-2-yl-9H-xanthene-9-carboxamide (CID 718111) is N-propan-2-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-propan-2-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-propan-2-yl-9H-xanthene-9-carboxamide is CC(C)NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-propan-2-yl-9H-xanthene-9-carboxamide?
The InChIKey is UMWJJFZQCQXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(2)18-17(19)16-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3,(H,18,19).
What are the key properties of N-propan-2-yl-9H-xanthene-9-carboxamide?
N-propan-2-yl-9H-xanthene-9-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).