2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane

C22H40N2O2 — CID 170603085

IUPAC2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
SMILESCC.CCC.CCNC(=O)Cc1ccc(CC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2.C3H8.C2H6/c1-5-18-15(20)10-13-6-8-14(9-7-13)11-16(21)19-12-17(2,3)4;1-3-2;1-2/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3
InChIKeyAAAVMCKKFXSTDE-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane

2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane (PubChem CID 170603085) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane.

Molecular Properties

Compound Name2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
PubChem CID170603085
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
SMILESCC.CCC.CCNC(=O)Cc1ccc(CC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2.C3H8.C2H6/c1-5-18-15(20)10-13-6-8-14(9-7-13)11-16(21)19-12-17(2,3)4;1-3-2;1-2/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3
InChIKeyAAAVMCKKFXSTDE-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane?
The IUPAC name of 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane (CID 170603085) is 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane.
What is the SMILES notation for 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane?
The canonical SMILES for 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane is CC.CCC.CCNC(=O)Cc1ccc(CC(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane?
The InChIKey is AAAVMCKKFXSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.C3H8.C2H6/c1-5-18-15(20)10-13-6-8-14(9-7-13)11-16(21)19-12-17(2,3)4;1-3-2;1-2/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3.
What are the key properties of 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane?
2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane has a molecular weight of 364.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane is sourced from PubChem (CID 170603085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).