(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate

C21H24N2O4 — CID 2998397

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c1C
InChIInChI=1S/C21H24N2O4/c1-15-6-5-9-18(16(15)2)22-19-8-4-3-7-17(19)21(25)27-14-20(24)23-10-12-26-13-11-23/h3-9,22H,10-14H2,1-2H3
InChIKeyDBGHXZHAYFIKKV-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.06
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate

(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate (PubChem CID 2998397) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate
PubChem CID2998397
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c1C
InChIInChI=1S/C21H24N2O4/c1-15-6-5-9-18(16(15)2)22-19-8-4-3-7-17(19)21(25)27-14-20(24)23-10-12-26-13-11-23/h3-9,22H,10-14H2,1-2H3
InChIKeyDBGHXZHAYFIKKV-UHFFFAOYSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
CID 24883486
Colfenamate
CID 198806
Phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
CID 11632008
Methyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 71040
Methyl 3-amino-2-[(4-phenylpiperazin-1-yl)methyl]benzoate
CID 1475138
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
[2-(N-methylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2435017
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2481637

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate (CID 2998397) is (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate is Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c1C.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate?
The InChIKey is DBGHXZHAYFIKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-6-5-9-18(16(15)2)22-19-8-4-3-7-17(19)21(25)27-14-20(24)23-10-12-26-13-11-23/h3-9,22H,10-14H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 2998397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).