tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate

C17H28N2O4 — CID 107255274

IUPACtert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1ccco1
InChIInChI=1S/C17H28N2O4/c1-6-21-14-10-12(19-16(20)23-17(3,4)5)15(14)18-11(2)13-8-7-9-22-13/h7-9,11-12,14-15,18H,6,10H2,1-5H3,(H,19,20)
InChIKeyBJWGJSQCDCPTEQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.00
Rot. Bonds6

About tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 107255274) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID107255274
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1ccco1
InChIInChI=1S/C17H28N2O4/c1-6-21-14-10-12(19-16(20)23-17(3,4)5)15(14)18-11(2)13-8-7-9-22-13/h7-9,11-12,14-15,18H,6,10H2,1-5H3,(H,19,20)
InChIKeyBJWGJSQCDCPTEQ-UHFFFAOYSA-N
XLogP3.00
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
CID 107255309
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
CID 107255426
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
CID 107255374
tert-butyl N-(2-propoxycyclopropyl)carbamate
CID 174856603
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate (CID 107255274) is tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1ccco1.
What is the InChIKey of tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is BJWGJSQCDCPTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-6-21-14-10-12(19-16(20)23-17(3,4)5)15(14)18-11(2)13-8-7-9-22-13/h7-9,11-12,14-15,18H,6,10H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107255274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).