tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate

C15H30N2O3 — CID 107250254

IUPACtert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
SMILESCCOC1CC(NCC(CC)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-11(17-14(18)20-15(3,4)5)10-16-12-8-13(9-12)19-7-2/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyLOGYLQDWUVNXMS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds7

About tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate

tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate (PubChem CID 107250254) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
PubChem CID107250254
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
SMILESCCOC1CC(NCC(CC)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-11(17-14(18)20-15(3,4)5)10-16-12-8-13(9-12)19-7-2/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyLOGYLQDWUVNXMS-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250315
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
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-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate (CID 107250254) is tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate is CCOC1CC(NCC(CC)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate?
The InChIKey is LOGYLQDWUVNXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-11(17-14(18)20-15(3,4)5)10-16-12-8-13(9-12)19-7-2/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).