tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate

C17H30N2O3 — CID 126804109

IUPACtert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCOC(C3CC3)C2)C1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-14-8-13(9-14)18-12-6-7-21-15(10-12)11-4-5-11/h11-15,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyHTABLMJSJJQXPR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate (PubChem CID 126804109) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
PubChem CID126804109
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCOC(C3CC3)C2)C1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-14-8-13(9-14)18-12-6-7-21-15(10-12)11-4-5-11/h11-15,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyHTABLMJSJJQXPR-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3,3-dimethyl-5-(oxan-4-ylamino)cyclohexyl]carbamate
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate (CID 126804109) is tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NC2CCOC(C3CC3)C2)C1.
What is the InChIKey of tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is HTABLMJSJJQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-14-8-13(9-14)18-12-6-7-21-15(10-12)11-4-5-11/h11-15,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 126804109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).