(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C17H24N2O2 — CID 155553743

IUPAC(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@@H]1O2
InChIInChI=1S/C17H24N2O2/c1-18(2)17(20)15-10-14-11-19(12-16(15)21-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3/t14-,15-,16-/m0/s1
InChIKeyRPVOCOKYQDFUOW-JYJNAYRXSA-N
MW288.39 g/mol
LogP1.41
Rot. Bonds4

About (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 155553743) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID155553743
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@@H]1O2
InChIInChI=1S/C17H24N2O2/c1-18(2)17(20)15-10-14-11-19(12-16(15)21-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3/t14-,15-,16-/m0/s1
InChIKeyRPVOCOKYQDFUOW-JYJNAYRXSA-N
XLogP1.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 155553743) is (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CN(C)C(=O)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@@H]1O2.
What is the InChIKey of (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is RPVOCOKYQDFUOW-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18(2)17(20)15-10-14-11-19(12-16(15)21-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3/t14-,15-,16-/m0/s1.
What are the key properties of (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-N,N-dimethyl-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 155553743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).