(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide

C16H28N2O3 — CID 136582577

IUPAC(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide
SMILESCC(C)[C@H]1CCO[C@H]1C(=O)NCCN1CC2CCC(C1)O2
InChIInChI=1S/C16H28N2O3/c1-11(2)14-5-8-20-15(14)16(19)17-6-7-18-9-12-3-4-13(10-18)21-12/h11-15H,3-10H2,1-2H3,(H,17,19)/t12?,13?,14-,15-/m1/s1
InChIKeyXPOWPZUAKOJOFM-NEXFUWMNSA-N
MW296.41 g/mol
LogP1.03
Rot. Bonds5

About (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide

(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide (PubChem CID 136582577) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide
PubChem CID136582577
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide
SMILESCC(C)[C@H]1CCO[C@H]1C(=O)NCCN1CC2CCC(C1)O2
InChIInChI=1S/C16H28N2O3/c1-11(2)14-5-8-20-15(14)16(19)17-6-7-18-9-12-3-4-13(10-18)21-12/h11-15H,3-10H2,1-2H3,(H,17,19)/t12?,13?,14-,15-/m1/s1
InChIKeyXPOWPZUAKOJOFM-NEXFUWMNSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide (CID 136582577) is (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide is CC(C)[C@H]1CCO[C@H]1C(=O)NCCN1CC2CCC(C1)O2.
What is the InChIKey of (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide?
The InChIKey is XPOWPZUAKOJOFM-NEXFUWMNSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)14-5-8-20-15(14)16(19)17-6-7-18-9-12-3-4-13(10-18)21-12/h11-15H,3-10H2,1-2H3,(H,17,19)/t12?,13?,14-,15-/m1/s1.
What are the key properties of (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide?
(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 136582577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).