tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate

C18H32N2O3 — CID 91256429

IUPACtert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
SMILESCCC1CC(NC(=O)OC(C)(C)C)(C(CC)C(=O)NC2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-6-12-10-18(11-12,20-16(22)23-17(3,4)5)14(7-2)15(21)19-13-8-9-13/h12-14H,6-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyCQAXPMXZVNXJPK-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.37
Rot. Bonds6

About tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate

tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate (PubChem CID 91256429) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
PubChem CID91256429
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
SMILESCCC1CC(NC(=O)OC(C)(C)C)(C(CC)C(=O)NC2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-6-12-10-18(11-12,20-16(22)23-17(3,4)5)14(7-2)15(21)19-13-8-9-13/h12-14H,6-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyCQAXPMXZVNXJPK-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 59248026
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
CID 66786848
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate (CID 91256429) is tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate is CCC1CC(NC(=O)OC(C)(C)C)(C(CC)C(=O)NC2CC2)C1.
What is the InChIKey of tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate?
The InChIKey is CQAXPMXZVNXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-6-12-10-18(11-12,20-16(22)23-17(3,4)5)14(7-2)15(21)19-13-8-9-13/h12-14H,6-11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate?
tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate is sourced from PubChem (CID 91256429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).