N,N-diethyl-9H-xanthene-3-carboxamide

C18H19NO2 — CID 69349327

IUPACN,N-diethyl-9H-xanthene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(20)15-10-9-14-11-13-7-5-6-8-16(13)21-17(14)12-15/h5-10,12H,3-4,11H2,1-2H3
InChIKeySNWIBTCJZSARAY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.87
Rot. Bonds3

About N,N-diethyl-9H-xanthene-3-carboxamide

N,N-diethyl-9H-xanthene-3-carboxamide (PubChem CID 69349327) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-diethyl-9H-xanthene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9H-xanthene-3-carboxamide
PubChem CID69349327
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN,N-diethyl-9H-xanthene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(20)15-10-9-14-11-13-7-5-6-8-16(13)21-17(14)12-15/h5-10,12H,3-4,11H2,1-2H3
InChIKeySNWIBTCJZSARAY-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-9H-xanthene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(diethylamino)-1-[6-[2-(diethylamino)acetyl]-9H-xanthen-2-yl]ethanone
CID 54369221
N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 10999838
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
9H-xanthene
CID 7107
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
6-[2-(diethylamino)-2-oxoethyl]-9H-xanthene-2-carboxylic acid
CID 175354758
N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide
CID 66546401
N,N-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
CID 174412487
CID 174412487
N,N-diethyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 20564243
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9H-xanthene-3-carboxamide?
The IUPAC name of N,N-diethyl-9H-xanthene-3-carboxamide (CID 69349327) is N,N-diethyl-9H-xanthene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-9H-xanthene-3-carboxamide?
The canonical SMILES for N,N-diethyl-9H-xanthene-3-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2.
What is the InChIKey of N,N-diethyl-9H-xanthene-3-carboxamide?
The InChIKey is SNWIBTCJZSARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19(4-2)18(20)15-10-9-14-11-13-7-5-6-8-16(13)21-17(14)12-15/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of N,N-diethyl-9H-xanthene-3-carboxamide?
N,N-diethyl-9H-xanthene-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.87, 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-3-carboxamide is sourced from PubChem (CID 69349327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).