tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate

C17H30N2O4 — CID 122151415

IUPACtert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C(=O)NCC1CCCOC1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H30N2O4/c1-12(15(20)18-10-13-6-5-9-22-11-13)19(14-7-8-14)16(21)23-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyWSIXGDOWIKHENA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 122151415) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID122151415
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(C(=O)NCC1CCCOC1)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H30N2O4/c1-12(15(20)18-10-13-6-5-9-22-11-13)19(14-7-8-14)16(21)23-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyWSIXGDOWIKHENA-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate (CID 122151415) is tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate is CC(C(=O)NCC1CCCOC1)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is WSIXGDOWIKHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12(15(20)18-10-13-6-5-9-22-11-13)19(14-7-8-14)16(21)23-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 122151415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).