tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate

C17H23NO3 — CID 168745505

IUPACtert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate
SMILESC[C@H](Cc1ccc2occc2c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3/c1-12(18(5)16(19)21-17(2,3)4)10-13-6-7-15-14(11-13)8-9-20-15/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1
InChIKeyFRYOLCHZHBSBQY-GFCCVEGCSA-N
MW289.37 g/mol
LogP4.23
Rot. Bonds3

About tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate (PubChem CID 168745505) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate
PubChem CID168745505
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Nametert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate
SMILESC[C@H](Cc1ccc2occc2c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3/c1-12(18(5)16(19)21-17(2,3)4)10-13-6-7-15-14(11-13)8-9-20-15/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1
InChIKeyFRYOLCHZHBSBQY-GFCCVEGCSA-N
XLogP4.23
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-(1-benzothiophen-5-yl)propan-2-yl]-N-methylcarbamate
CID 168763872
(2S)-3-(1-benzofuran-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15481925
tert-butyl N-[1-[4-(2-aminoethoxy)-3-methoxyphenyl]propan-2-yl]-N-methylcarbamate
CID 134426854
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate
CID 166892722
3-(1-benzofuran-5-yl)-2-methylpropanal
CID 83829075
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
(2S)-1-(1-benzofuran-5-yl)butan-2-amine
CID 168924100
3-(1-benzofuran-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168924113
[3-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
CID 11825637
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
tert-butyl N-[(2S,4Z,5Z)-1-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-4-ethylidene-1-oxoocta-5,7-dien-2-yl]carbamate
CID 145147487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate (CID 168745505) is tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate is C[C@H](Cc1ccc2occc2c1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate?
The InChIKey is FRYOLCHZHBSBQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(18(5)16(19)21-17(2,3)4)10-13-6-7-15-14(11-13)8-9-20-15/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate has a molecular weight of 289.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 168745505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).