(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H28N2O3 — CID 99834426

IUPAC(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2[C@@H]3CC[C@@H]2CC(O)C3)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-3-8-24-18-7-4-14(13(2)9-18)12-20-19(23)21-15-5-6-16(21)11-17(22)10-15/h4,7,9,15-17,22H,3,5-6,8,10-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyLYYUTQBJZFSFSR-HZPDHXFCSA-N
MW332.44 g/mol
LogP2.98
Rot. Bonds5

About (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 99834426) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID99834426
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2[C@@H]3CC[C@@H]2CC(O)C3)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-3-8-24-18-7-4-14(13(2)9-18)12-20-19(23)21-15-5-6-16(21)11-17(22)10-15/h4,7,9,15-17,22H,3,5-6,8,10-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyLYYUTQBJZFSFSR-HZPDHXFCSA-N
XLogP2.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

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(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide
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methyl 3-(2-methyl-4-propoxyphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 99834426) is (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is CCCOc1ccc(CNC(=O)N2[C@@H]3CC[C@@H]2CC(O)C3)c(C)c1.
What is the InChIKey of (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is LYYUTQBJZFSFSR-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-8-24-18-7-4-14(13(2)9-18)12-20-19(23)21-15-5-6-16(21)11-17(22)10-15/h4,7,9,15-17,22H,3,5-6,8,10-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 99834426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).