tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate

C17H32N2O3 — CID 107239129

IUPACtert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
SMILESCCOC1CC(NC2CC(NC(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C17H32N2O3/c1-7-21-14-10-13(17(14,5)6)18-11-8-12(9-11)19-15(20)22-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20)
InChIKeyTUAFBPNHOYBYRE-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate (PubChem CID 107239129) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
PubChem CID107239129
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
SMILESCCOC1CC(NC2CC(NC(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C17H32N2O3/c1-7-21-14-10-13(17(14,5)6)18-11-8-12(9-11)19-15(20)22-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20)
InChIKeyTUAFBPNHOYBYRE-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
CID 107237358
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
CID 107257534
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl (4S)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 113352246
tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
CID 80560509
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] methanesulfonate
CID 131123206
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate (CID 107239129) is tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate is CCOC1CC(NC2CC(NC(=O)OC(C)(C)C)C2)C1(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate?
The InChIKey is TUAFBPNHOYBYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-7-21-14-10-13(17(14,5)6)18-11-8-12(9-11)19-15(20)22-16(2,3)4/h11-14,18H,7-10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.84, 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-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 107239129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).