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

C14H28N2O3 — CID 107247532

IUPACtert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
SMILESCCOC1CC(NCC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12-7-11(8-12)15-9-10(2)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyUDZCBKIBWHNKAV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds6

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

tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate (PubChem CID 107247532) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
PubChem CID107247532
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
SMILESCCOC1CC(NCC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12-7-11(8-12)15-9-10(2)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyUDZCBKIBWHNKAV-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[1-(thietan-3-ylamino)propan-2-yl]carbamate
CID 130671790
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
CID 107247467
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 107248008
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate
CID 103922940
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate (CID 107247532) is tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate is CCOC1CC(NCC(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate?
The InChIKey is UDZCBKIBWHNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-18-12-7-11(8-12)15-9-10(2)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate?
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 6 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]propan-2-yl]carbamate is sourced from PubChem (CID 107247532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).