tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate

C17H30N2O3S — CID 106434713

IUPACtert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC(O)c1ccsc1)C(C)(C)C
InChIInChI=1S/C17H30N2O3S/c1-16(2,3)19(15(21)22-17(4,5)6)9-8-18-11-14(20)13-7-10-23-12-13/h7,10,12,14,18,20H,8-9,11H2,1-6H3
InChIKeyXQZHUPYBLKIZTK-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.41
Rot. Bonds6

About tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate (PubChem CID 106434713) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
PubChem CID106434713
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC(O)c1ccsc1)C(C)(C)C
InChIInChI=1S/C17H30N2O3S/c1-16(2,3)19(15(21)22-17(4,5)6)9-8-18-11-14(20)13-7-10-23-12-13/h7,10,12,14,18,20H,8-9,11H2,1-6H3
InChIKeyXQZHUPYBLKIZTK-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]carbamate
CID 107446284
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
CID 107445688
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate (CID 106434713) is tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCC(O)c1ccsc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate?
The InChIKey is XQZHUPYBLKIZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-16(2,3)19(15(21)22-17(4,5)6)9-8-18-11-14(20)13-7-10-23-12-13/h7,10,12,14,18,20H,8-9,11H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate has a molecular weight of 342.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate is sourced from PubChem (CID 106434713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).