(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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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).