N-pentan-3-yl-9H-xanthene-9-carboxamide

C19H21NO2 — CID 717587

IUPACN-pentan-3-yl-9H-xanthene-9-carboxamide
SMILESCCC(CC)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO2/c1-3-13(4-2)20-19(21)18-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)18/h5-13,18H,3-4H2,1-2H3,(H,20,21)
InChIKeyXDVGQMNRQVWRDL-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.23
Rot. Bonds4

About N-pentan-3-yl-9H-xanthene-9-carboxamide

N-pentan-3-yl-9H-xanthene-9-carboxamide (PubChem CID 717587) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-pentan-3-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-9H-xanthene-9-carboxamide
PubChem CID717587
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-pentan-3-yl-9H-xanthene-9-carboxamide
SMILESCCC(CC)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO2/c1-3-13(4-2)20-19(21)18-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)18/h5-13,18H,3-4H2,1-2H3,(H,20,21)
InChIKeyXDVGQMNRQVWRDL-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-pentan-3-yl-9H-xanthene-9-carboxamide (CID 717587) is N-pentan-3-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-pentan-3-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-pentan-3-yl-9H-xanthene-9-carboxamide is CCC(CC)NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-pentan-3-yl-9H-xanthene-9-carboxamide?
The InChIKey is XDVGQMNRQVWRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-13(4-2)20-19(21)18-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)18/h5-13,18H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-pentan-3-yl-9H-xanthene-9-carboxamide?
N-pentan-3-yl-9H-xanthene-9-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 717587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).