N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide

C12H20N2O2S — CID 113293230

IUPACN-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(O)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)14-11(16)8-13-7-9(15)10-5-4-6-17-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyDAGSECYZSLJTFQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.29
Rot. Bonds5

About N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide

N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide (PubChem CID 113293230) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
PubChem CID113293230
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNCC(O)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)14-11(16)8-13-7-9(15)10-5-4-6-17-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyDAGSECYZSLJTFQ-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405123
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide (CID 113293230) is N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide is CC(C)(C)NC(=O)CNCC(O)c1cccs1.
What is the InChIKey of N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is DAGSECYZSLJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)14-11(16)8-13-7-9(15)10-5-4-6-17-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide?
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 113293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).