N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide

C21H30N2O2 — CID 71937714

IUPACN-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2C3CCCC2CN(C2CC2)C3)ccc1C
InChIInChI=1S/C21H30N2O2/c1-14-6-7-15(10-19(14)25-2)11-20(24)22-21-16-4-3-5-17(21)13-23(12-16)18-8-9-18/h6-7,10,16-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24)
InChIKeySRWRZSONPOWPGR-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.93
Rot. Bonds5

About N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide

N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 71937714) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID71937714
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2C3CCCC2CN(C2CC2)C3)ccc1C
InChIInChI=1S/C21H30N2O2/c1-14-6-7-15(10-19(14)25-2)11-20(24)22-21-16-4-3-5-17(21)13-23(12-16)18-8-9-18/h6-7,10,16-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24)
InChIKeySRWRZSONPOWPGR-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide with MolForge

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Related Compounds

N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 97006375
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-methoxy-4-methylphenyl)propanamide
CID 155500234
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 115775325
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
1-[(3-methoxy-4-methylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041117
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide (CID 71937714) is N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)NC2C3CCCC2CN(C2CC2)C3)ccc1C.
What is the InChIKey of N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is SRWRZSONPOWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14-6-7-15(10-19(14)25-2)11-20(24)22-21-16-4-3-5-17(21)13-23(12-16)18-8-9-18/h6-7,10,16-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide?
N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 71937714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).