tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate

C17H28N2O3 — CID 103720087

IUPACtert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCc2ccco2)C1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-14-7-4-6-13(12-14)18-10-9-15-8-5-11-21-15/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3,(H,19,20)
InChIKeyFQRRGZPOJOXWFR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.25
Rot. Bonds5

About tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate

tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate (PubChem CID 103720087) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
PubChem CID103720087
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCc2ccco2)C1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-14-7-4-6-13(12-14)18-10-9-15-8-5-11-21-15/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3,(H,19,20)
InChIKeyFQRRGZPOJOXWFR-UHFFFAOYSA-N
XLogP3.25
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[4-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 110055376
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
tert-butyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]carbamate
CID 103720142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate (CID 103720087) is tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCCc2ccco2)C1.
What is the InChIKey of tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate?
The InChIKey is FQRRGZPOJOXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-14-7-4-6-13(12-14)18-10-9-15-8-5-11-21-15/h5,8,11,13-14,18H,4,6-7,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).