N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide

C20H21NO3 — CID 2970994

IUPACN-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCC(NC(=O)C1c2ccccc2Oc2ccccc21)C1CCCO1
InChIInChI=1S/C20H21NO3/c1-13(16-11-6-12-23-16)21-20(22)19-14-7-2-4-9-17(14)24-18-10-5-3-8-15(18)19/h2-5,7-10,13,16,19H,6,11-12H2,1H3,(H,21,22)
InChIKeyQLJCHCVBPNEBCI-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.61
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide

N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 2970994) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID2970994
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCC(NC(=O)C1c2ccccc2Oc2ccccc21)C1CCCO1
InChIInChI=1S/C20H21NO3/c1-13(16-11-6-12-23-16)21-20(22)19-14-7-2-4-9-17(14)24-18-10-5-3-8-15(18)19/h2-5,7-10,13,16,19H,6,11-12H2,1H3,(H,21,22)
InChIKeyQLJCHCVBPNEBCI-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide (CID 2970994) is N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide is CC(NC(=O)C1c2ccccc2Oc2ccccc21)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is QLJCHCVBPNEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(16-11-6-12-23-16)21-20(22)19-14-7-2-4-9-17(14)24-18-10-5-3-8-15(18)19/h2-5,7-10,13,16,19H,6,11-12H2,1H3,(H,21,22).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2970994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).