tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate

C17H28N2O2 — CID 103716862

IUPACtert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
SMILESCCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-19(16(20)21-17(3,4)5)13-12-18-14(2)15-10-8-7-9-11-15/h7-11,14,18H,6,12-13H2,1-5H3
InChIKeyZKSSSJBIGADPOX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.59
Rot. Bonds6

About tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate (PubChem CID 103716862) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
PubChem CID103716862
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
SMILESCCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-19(16(20)21-17(3,4)5)13-12-18-14(2)15-10-8-7-9-11-15/h7-11,14,18H,6,12-13H2,1-5H3
InChIKeyZKSSSJBIGADPOX-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260
tert-butyl N-[2-[1-(3-chlorophenyl)ethylamino]ethyl]-N-propylcarbamate
CID 107246027
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate (CID 103716862) is tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate is CCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate?
The InChIKey is ZKSSSJBIGADPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-19(16(20)21-17(3,4)5)13-12-18-14(2)15-10-8-7-9-11-15/h7-11,14,18H,6,12-13H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 103716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).