propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate

C11H21NO3 — CID 116656071

IUPACpropan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(C)CC1CCCOC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(13)12(3)7-10-5-4-6-14-8-10/h9-10H,4-8H2,1-3H3
InChIKeyQWZBPCIXENEVBD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds3

About propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate

propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate (PubChem CID 116656071) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
PubChem CID116656071
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(C)CC1CCCOC1
InChIInChI=1S/C11H21NO3/c1-9(2)15-11(13)12(3)7-10-5-4-6-14-8-10/h9-10H,4-8H2,1-3H3
InChIKeyQWZBPCIXENEVBD-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate (CID 116656071) is propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate is CC(C)OC(=O)N(C)CC1CCCOC1.
What is the InChIKey of propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate?
The InChIKey is QWZBPCIXENEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)15-11(13)12(3)7-10-5-4-6-14-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate?
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate is sourced from PubChem (CID 116656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).