N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide

C25H24N2O4 — CID 40609025

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H24N2O4/c1-3-27(16-23(28)26-17-9-8-10-18(15-17)30-2)25(29)24-19-11-4-6-13-21(19)31-22-14-7-5-12-20(22)24/h4-15,24H,3,16H2,1-2H3,(H,26,28)
InChIKeyKGTXDFVDMAQVHJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.42
Rot. Bonds6

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide (PubChem CID 40609025) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
PubChem CID40609025
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H24N2O4/c1-3-27(16-23(28)26-17-9-8-10-18(15-17)30-2)25(29)24-19-11-4-6-13-21(19)31-22-14-7-5-12-20(22)24/h4-15,24H,3,16H2,1-2H3,(H,26,28)
InChIKeyKGTXDFVDMAQVHJ-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 34778072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide (CID 40609025) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The InChIKey is KGTXDFVDMAQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-3-27(16-23(28)26-17-9-8-10-18(15-17)30-2)25(29)24-19-11-4-6-13-21(19)31-22-14-7-5-12-20(22)24/h4-15,24H,3,16H2,1-2H3,(H,26,28).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 40609025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).