(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H20N2O2 — CID 98214795

IUPAC(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1COC2
InChIInChI=1S/C18H20N2O2/c21-18(20-15-8-9-16(20)12-22-11-15)19-10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,15-16H,8-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyMKUWSQJRICHJCD-HOTGVXAUSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds2

About (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 98214795) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID98214795
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1COC2
InChIInChI=1S/C18H20N2O2/c21-18(20-15-8-9-16(20)12-22-11-15)19-10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,15-16H,8-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyMKUWSQJRICHJCD-HOTGVXAUSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 98214795) is (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1COC2.
What is the InChIKey of (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is MKUWSQJRICHJCD-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(20-15-8-9-16(20)12-22-11-15)19-10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,15-16H,8-12H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 98214795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).