N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide

C17H28N2O2S — CID 24646132

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCc2cccs2)CC(C)O1
InChIInChI=1S/C17H28N2O2S/c1-13-10-19(11-14(2)21-13)17(3,4)12-18-16(20)8-7-15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20)
InChIKeyXBCAMKLDYUTVJM-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide (PubChem CID 24646132) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide
PubChem CID24646132
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCc2cccs2)CC(C)O1
InChIInChI=1S/C17H28N2O2S/c1-13-10-19(11-14(2)21-13)17(3,4)12-18-16(20)8-7-15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20)
InChIKeyXBCAMKLDYUTVJM-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide (CID 24646132) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide is CC1CN(C(C)(C)CNC(=O)CCc2cccs2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide?
The InChIKey is XBCAMKLDYUTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13-10-19(11-14(2)21-13)17(3,4)12-18-16(20)8-7-15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide has a molecular weight of 324.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 24646132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).