tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate

C16H25BrN2O3 — CID 107093722

IUPACtert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
SMILESCC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Br)o1
InChIInChI=1S/C16H25BrN2O3/c1-10(13-7-8-14(17)21-13)19-12(11-5-6-11)9-18-15(20)22-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyRSGFMRVNPWJMBA-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate

tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate (PubChem CID 107093722) has the molecular formula C16H25BrN2O3 and a molecular weight of 373.29 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
PubChem CID107093722
Molecular FormulaC16H25BrN2O3
Molecular Weight373.29 g/mol
Exact Mass372.10
IUPAC Nametert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
SMILESCC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Br)o1
InChIInChI=1S/C16H25BrN2O3/c1-10(13-7-8-14(17)21-13)19-12(11-5-6-11)9-18-15(20)22-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyRSGFMRVNPWJMBA-UHFFFAOYSA-N
XLogP4.00
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 103785726
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate (CID 107093722) is tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate is CC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Br)o1.
What is the InChIKey of tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The InChIKey is RSGFMRVNPWJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3/c1-10(13-7-8-14(17)21-13)19-12(11-5-6-11)9-18-15(20)22-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate has a molecular weight of 373.29 g/mol, XLogP of 4.00, 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-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 107093722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).