N-ethyl-9-prop-2-enylxanthene-9-carboxamide

C19H19NO2 — CID 18409235

IUPACN-ethyl-9-prop-2-enylxanthene-9-carboxamide
SMILESC=CCC1(C(=O)NCC)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-13-19(18(21)20-4-2)14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19/h3,5-12H,1,4,13H2,2H3,(H,20,21)
InChIKeyQRZFGWXZBGAIET-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.79
Rot. Bonds4

About N-ethyl-9-prop-2-enylxanthene-9-carboxamide

N-ethyl-9-prop-2-enylxanthene-9-carboxamide (PubChem CID 18409235) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-9-prop-2-enylxanthene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-prop-2-enylxanthene-9-carboxamide
PubChem CID18409235
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-9-prop-2-enylxanthene-9-carboxamide
SMILESC=CCC1(C(=O)NCC)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-13-19(18(21)20-4-2)14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19/h3,5-12H,1,4,13H2,2H3,(H,20,21)
InChIKeyQRZFGWXZBGAIET-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-9-prop-2-enylxanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-prop-2-enylxanthene-9-carboxamide?
The IUPAC name of N-ethyl-9-prop-2-enylxanthene-9-carboxamide (CID 18409235) is N-ethyl-9-prop-2-enylxanthene-9-carboxamide.
What is the SMILES notation for N-ethyl-9-prop-2-enylxanthene-9-carboxamide?
The canonical SMILES for N-ethyl-9-prop-2-enylxanthene-9-carboxamide is C=CCC1(C(=O)NCC)c2ccccc2Oc2ccccc21.
What is the InChIKey of N-ethyl-9-prop-2-enylxanthene-9-carboxamide?
The InChIKey is QRZFGWXZBGAIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-13-19(18(21)20-4-2)14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19/h3,5-12H,1,4,13H2,2H3,(H,20,21).
What are the key properties of N-ethyl-9-prop-2-enylxanthene-9-carboxamide?
N-ethyl-9-prop-2-enylxanthene-9-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-prop-2-enylxanthene-9-carboxamide is sourced from PubChem (CID 18409235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).