tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate

C15H26N2O3 — CID 103388158

IUPACtert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
SMILESCc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-10(9-16-14(18)20-15(4,5)6)17-12(3)13-8-7-11(2)19-13/h7-8,10,12,17H,9H2,1-6H3,(H,16,18)
InChIKeyNGEXIODUROFXQF-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.15
Rot. Bonds5

About tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate (PubChem CID 103388158) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
PubChem CID103388158
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
SMILESCc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-10(9-16-14(18)20-15(4,5)6)17-12(3)13-8-7-11(2)19-13/h7-8,10,12,17H,9H2,1-6H3,(H,16,18)
InChIKeyNGEXIODUROFXQF-UHFFFAOYSA-N
XLogP3.15
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate (CID 103388158) is tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate is Cc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate?
The InChIKey is NGEXIODUROFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(9-16-14(18)20-15(4,5)6)17-12(3)13-8-7-11(2)19-13/h7-8,10,12,17H,9H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103388158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).