tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate

C17H30N2O3S — CID 103906226

IUPACtert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
SMILESCCC(NCCN(CCOC)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H30N2O3S/c1-6-14(15-8-7-13-23-15)18-9-10-19(11-12-21-5)16(20)22-17(2,3)4/h7-8,13-14,18H,6,9-12H2,1-5H3
InChIKeyDNHHCRVDUYAKSJ-UHFFFAOYSA-N
MW342.50 g/mol
LogP3.67
Rot. Bonds9

About tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate (PubChem CID 103906226) has the molecular formula C17H30N2O3S and a molecular weight of 342.50 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
PubChem CID103906226
Molecular FormulaC17H30N2O3S
Molecular Weight342.50 g/mol
Exact Mass342.20
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
SMILESCCC(NCCN(CCOC)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H30N2O3S/c1-6-14(15-8-7-13-23-15)18-9-10-19(11-12-21-5)16(20)22-17(2,3)4/h7-8,13-14,18H,6,9-12H2,1-5H3
InChIKeyDNHHCRVDUYAKSJ-UHFFFAOYSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107257008
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
CID 107444710
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-propylcarbamate
CID 107246033
3-[2-(1-thiophen-2-ylpropylamino)ethoxy]benzoic acid
CID 103243828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate (CID 103906226) is tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate is CCC(NCCN(CCOC)C(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate?
The InChIKey is DNHHCRVDUYAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-6-14(15-8-7-13-23-15)18-9-10-19(11-12-21-5)16(20)22-17(2,3)4/h7-8,13-14,18H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate has a molecular weight of 342.50 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate is sourced from PubChem (CID 103906226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).