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

C17H24N2O4 — CID 119071131

IUPAC(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)C3O)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-6-5-11(15(7-14)23-2)8-18-17(21)19-9-12-3-4-13(10-19)16(12)20/h5-7,12-13,16,20H,3-4,8-10H2,1-2H3,(H,18,21)/t12-,13+,16?
InChIKeyKLBXJSDWFXOBOB-OCZCAGDBSA-N
MW320.39 g/mol
LogP1.62
Rot. Bonds4

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

(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 119071131) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID119071131
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)C3O)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-6-5-11(15(7-14)23-2)8-18-17(21)19-9-12-3-4-13(10-19)16(12)20/h5-7,12-13,16,20H,3-4,8-10H2,1-2H3,(H,18,21)/t12-,13+,16?
InChIKeyKLBXJSDWFXOBOB-OCZCAGDBSA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 24951842
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
(2,4-dimethoxyphenyl)methylurea
CID 53362457
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
CID 118780575
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 53345800
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 119071131) is (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide is COc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)C3O)c(OC)c1.
What is the InChIKey of (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is KLBXJSDWFXOBOB-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-6-5-11(15(7-14)23-2)8-18-17(21)19-9-12-3-4-13(10-19)16(12)20/h5-7,12-13,16,20H,3-4,8-10H2,1-2H3,(H,18,21)/t12-,13+,16?.
What are the key properties of (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 119071131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).