N-cyclohexyl-9H-xanthene-9-carboxamide

C20H21NO2 — CID 718107

IUPACN-cyclohexyl-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H21NO2/c22-20(21-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)19/h4-7,10-14,19H,1-3,8-9H2,(H,21,22)
InChIKeyQRYFFKRQUZOCFQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.37
Rot. Bonds2

About N-cyclohexyl-9H-xanthene-9-carboxamide

N-cyclohexyl-9H-xanthene-9-carboxamide (PubChem CID 718107) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclohexyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-9H-xanthene-9-carboxamide
PubChem CID718107
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-cyclohexyl-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H21NO2/c22-20(21-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)19/h4-7,10-14,19H,1-3,8-9H2,(H,21,22)
InChIKeyQRYFFKRQUZOCFQ-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-cyclohexyl-9H-xanthene-9-carboxamide (CID 718107) is N-cyclohexyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-cyclohexyl-9H-xanthene-9-carboxamide is O=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-cyclohexyl-9H-xanthene-9-carboxamide?
The InChIKey is QRYFFKRQUZOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(21-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)19/h4-7,10-14,19H,1-3,8-9H2,(H,21,22).
What are the key properties of N-cyclohexyl-9H-xanthene-9-carboxamide?
N-cyclohexyl-9H-xanthene-9-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 718107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).