N,N-diethyl-9H-xanthene-9-carboxamide

C18H19NO2 — CID 669620

IUPACN,N-diethyl-9H-xanthene-9-carboxamide
SMILESCCN(CC)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(20)17-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)17/h5-12,17H,3-4H2,1-2H3
InChIKeyIAGIJTHESCPASW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.79
Rot. Bonds3

About N,N-diethyl-9H-xanthene-9-carboxamide

N,N-diethyl-9H-xanthene-9-carboxamide (PubChem CID 669620) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-diethyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9H-xanthene-9-carboxamide
PubChem CID669620
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN,N-diethyl-9H-xanthene-9-carboxamide
SMILESCCN(CC)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(20)17-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)17/h5-12,17H,3-4H2,1-2H3
InChIKeyIAGIJTHESCPASW-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9H-xanthene-9-carboxamide?
The IUPAC name of N,N-diethyl-9H-xanthene-9-carboxamide (CID 669620) is N,N-diethyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N,N-diethyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N,N-diethyl-9H-xanthene-9-carboxamide is CCN(CC)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N,N-diethyl-9H-xanthene-9-carboxamide?
The InChIKey is IAGIJTHESCPASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19(4-2)18(20)17-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)17/h5-12,17H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-9H-xanthene-9-carboxamide?
N,N-diethyl-9H-xanthene-9-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 669620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).