N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide

C21H24N2O3 — CID 4783340

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-4-23(5-2)19(24)14-22(3)21(25)20-15-10-6-8-12-17(15)26-18-13-9-7-11-16(18)20/h6-13,20H,4-5,14H2,1-3H3
InChIKeyKBQADNHXDMMTBR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 4783340) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID4783340
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-4-23(5-2)19(24)14-22(3)21(25)20-15-10-6-8-12-17(15)26-18-13-9-7-11-16(18)20/h6-13,20H,4-5,14H2,1-3H3
InChIKeyKBQADNHXDMMTBR-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide (CID 4783340) is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is KBQADNHXDMMTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-23(5-2)19(24)14-22(3)21(25)20-15-10-6-8-12-17(15)26-18-13-9-7-11-16(18)20/h6-13,20H,4-5,14H2,1-3H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4783340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).