(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C15H20N2O3 — CID 95986000

IUPAC(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCOc1ccc(NC(=O)N2[C@@H]3CC[C@H]2COC3)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-14-7-3-11(4-8-14)16-15(18)17-12-5-6-13(17)10-19-9-12/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,16,18)/t12-,13+
InChIKeyOTPHSJMIBWCPHE-BETUJISGSA-N
MW276.34 g/mol
LogP2.48
Rot. Bonds3

About (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 95986000) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID95986000
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCOc1ccc(NC(=O)N2[C@@H]3CC[C@H]2COC3)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-14-7-3-11(4-8-14)16-15(18)17-12-5-6-13(17)10-19-9-12/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,16,18)/t12-,13+
InChIKeyOTPHSJMIBWCPHE-BETUJISGSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
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1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
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3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
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N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166600511
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-(4-ethoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
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N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 95986000) is (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is CCOc1ccc(NC(=O)N2[C@@H]3CC[C@H]2COC3)cc1.
What is the InChIKey of (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is OTPHSJMIBWCPHE-BETUJISGSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14-7-3-11(4-8-14)16-15(18)17-12-5-6-13(17)10-19-9-12/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3,(H,16,18)/t12-,13+.
What are the key properties of (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 95986000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).