tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate

C15H19NO3 — CID 16663836

IUPACtert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16-14(17)19-15(2,3)4)13-9-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeySZRFUUNPRQKIIE-JTQLQIEISA-N
MW261.32 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate (PubChem CID 16663836) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
PubChem CID16663836
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16-14(17)19-15(2,3)4)13-9-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeySZRFUUNPRQKIIE-JTQLQIEISA-N
XLogP4.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
CID 16663835
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
CID 43725995
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
CID 146224075
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929440
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate (CID 16663836) is tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate?
The InChIKey is SZRFUUNPRQKIIE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(16-14(17)19-15(2,3)4)13-9-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,16,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate is sourced from PubChem (CID 16663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).