tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate

C17H32N2O4 — CID 107243350

IUPACtert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate
SMILESCCOC1CC(NCC2(NC(=O)OC(C)(C)C)CCC2)C1OC
InChIInChI=1S/C17H32N2O4/c1-6-22-13-10-12(14(13)21-5)18-11-17(8-7-9-17)19-15(20)23-16(2,3)4/h12-14,18H,6-11H2,1-5H3,(H,19,20)
InChIKeyFZYGDANYAHMULF-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.22
Rot. Bonds7

About tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate (PubChem CID 107243350) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate
PubChem CID107243350
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate
SMILESCCOC1CC(NCC2(NC(=O)OC(C)(C)C)CCC2)C1OC
InChIInChI=1S/C17H32N2O4/c1-6-22-13-10-12(14(13)21-5)18-11-17(8-7-9-17)19-15(20)23-16(2,3)4/h12-14,18H,6-11H2,1-5H3,(H,19,20)
InChIKeyFZYGDANYAHMULF-UHFFFAOYSA-N
XLogP2.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 104537392
3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 113364998
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
CID 107243295
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate (CID 107243350) is tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate is CCOC1CC(NCC2(NC(=O)OC(C)(C)C)CCC2)C1OC.
What is the InChIKey of tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate?
The InChIKey is FZYGDANYAHMULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-6-22-13-10-12(14(13)21-5)18-11-17(8-7-9-17)19-15(20)23-16(2,3)4/h12-14,18H,6-11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).