tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate

C18H24N2O3 — CID 103700823

IUPACtert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ccoc1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(21)20-16(15-7-5-4-6-8-15)12-19-11-14-9-10-22-13-14/h4-10,13,16,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyJPWGGETVHSYJSY-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate (PubChem CID 103700823) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
PubChem CID103700823
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ccoc1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(21)20-16(15-7-5-4-6-8-15)12-19-11-14-9-10-22-13-14/h4-10,13,16,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyJPWGGETVHSYJSY-UHFFFAOYSA-N
XLogP3.64
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
(2S)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59611140
tert-butyl N-[(1R)-1,3-diphenylbut-3-enyl]carbamate
CID 162418431
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate (CID 103700823) is tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(CNCc1ccoc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate?
The InChIKey is JPWGGETVHSYJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(21)20-16(15-7-5-4-6-8-15)12-19-11-14-9-10-22-13-14/h4-10,13,16,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 103700823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).