N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide

C17H24N2O3 — CID 51160837

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C17H24N2O3/c1-11-5-6-15(7-12(11)2)17(21)18-8-16(20)19-9-13(3)22-14(4)10-19/h5-7,13-14H,8-10H2,1-4H3,(H,18,21)
InChIKeyUSBQDAQOLMQAHL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds3

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 51160837) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID51160837
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C17H24N2O3/c1-11-5-6-15(7-12(11)2)17(21)18-8-16(20)19-9-13(3)22-14(4)10-19/h5-7,13-14H,8-10H2,1-4H3,(H,18,21)
InChIKeyUSBQDAQOLMQAHL-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide (CID 51160837) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CC(C)OC(C)C2)cc1C.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is USBQDAQOLMQAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-5-6-15(7-12(11)2)17(21)18-8-16(20)19-9-13(3)22-14(4)10-19/h5-7,13-14H,8-10H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 51160837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).