tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate

C17H30N2O3S — CID 107257062

IUPACtert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
SMILESCc1ccc(C(C)NCCN(CC(C)O)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H30N2O3S/c1-12(20)11-19(16(21)22-17(4,5)6)10-9-18-14(3)15-8-7-13(2)23-15/h7-8,12,14,18,20H,9-11H2,1-6H3
InChIKeyHSNIGBQLBUYCID-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.33
Rot. Bonds7

About tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate

tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate (PubChem CID 107257062) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
PubChem CID107257062
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
SMILESCc1ccc(C(C)NCCN(CC(C)O)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H30N2O3S/c1-12(20)11-19(16(21)22-17(4,5)6)10-9-18-14(3)15-8-7-13(2)23-15/h7-8,12,14,18,20H,9-11H2,1-6H3
InChIKeyHSNIGBQLBUYCID-UHFFFAOYSA-N
XLogP3.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-(2-hydroxypropyl)-N-[2-[(5-nitrothiophen-2-yl)methylamino]ethyl]carbamate
CID 114078129
tert-butyl N-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257292
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate (CID 107257062) is tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate is Cc1ccc(C(C)NCCN(CC(C)O)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate?
The InChIKey is HSNIGBQLBUYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-12(20)11-19(16(21)22-17(4,5)6)10-9-18-14(3)15-8-7-13(2)23-15/h7-8,12,14,18,20H,9-11H2,1-6H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate?
tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate has a molecular weight of 342.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 107257062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).