2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide

C14H24N2O2S — CID 111750360

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)N(C)CC(C)(C)O
InChIInChI=1S/C14H24N2O2S/c1-11(16(4)10-14(2,3)18)13(17)15-8-7-12-6-5-9-19-12/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,15,17)
InChIKeyAXQVCFSXORSMHS-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.50
Rot. Bonds7

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 111750360) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID111750360
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)N(C)CC(C)(C)O
InChIInChI=1S/C14H24N2O2S/c1-11(16(4)10-14(2,3)18)13(17)15-8-7-12-6-5-9-19-12/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,15,17)
InChIKeyAXQVCFSXORSMHS-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
CID 131916129
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 9041710
(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 124608254
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 55544038
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide (CID 111750360) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide is CC(C(=O)NCCc1cccs1)N(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is AXQVCFSXORSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(16(4)10-14(2,3)18)13(17)15-8-7-12-6-5-9-19-12/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 284.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 111750360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).