3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C18H25N3O3 — CID 24746860

IUPAC3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2C3CCCC2CC(NC(C)=O)C3)c1
InChIInChI=1S/C18H25N3O3/c1-12(22)19-14-9-15-6-4-7-16(10-14)21(15)18(23)20-13-5-3-8-17(11-13)24-2/h3,5,8,11,14-16H,4,6-7,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFVAWOBSINQXXLW-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.75
Rot. Bonds3

About 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 24746860) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID24746860
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2C3CCCC2CC(NC(C)=O)C3)c1
InChIInChI=1S/C18H25N3O3/c1-12(22)19-14-9-15-6-4-7-16(10-14)21(15)18(23)20-13-5-3-8-17(11-13)24-2/h3,5,8,11,14-16H,4,6-7,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFVAWOBSINQXXLW-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ucm 793
CID 24750192
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CID 16656789
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
3-(3-Methoxyphenyl)-1,1-dimethylurea
CID 34178
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CID 3411091
[3-(Morpholine-4-carbonylamino)phenyl] piperidine-1-carboxylate
CID 831789
1-(4-Methoxyphenyl)-3-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3217966
1-(3-Methoxyphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3218070
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
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CID 6467692

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 24746860) is 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is COc1cccc(NC(=O)N2C3CCCC2CC(NC(C)=O)C3)c1.
What is the InChIKey of 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is FVAWOBSINQXXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(22)19-14-9-15-6-4-7-16(10-14)21(15)18(23)20-13-5-3-8-17(11-13)24-2/h3,5,8,11,14-16H,4,6-7,9-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 24746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).