N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

C25H30ClN3O3 — CID 155574290

IUPACN-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCOc1ccc(C(=O)CNC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H30ClN3O3/c1-32-21-11-9-17(10-12-21)24(30)15-27-18-13-19-5-4-6-20(14-18)29(19)16-25(31)28-23-8-3-2-7-22(23)26/h2-3,7-12,18-20,27H,4-6,13-16H2,1H3,(H,28,31)
InChIKeyIEMUZJNNAQFHIE-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.15
Rot. Bonds8

About N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (PubChem CID 155574290) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
PubChem CID155574290
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCOc1ccc(C(=O)CNC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H30ClN3O3/c1-32-21-11-9-17(10-12-21)24(30)15-27-18-13-19-5-4-6-20(14-18)29(19)16-25(31)28-23-8-3-2-7-22(23)26/h2-3,7-12,18-20,27H,4-6,13-16H2,1H3,(H,28,31)
InChIKeyIEMUZJNNAQFHIE-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,6-dimethoxybenzamide
CID 155574283
2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
CID 98111247
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-5-carboxamide
CID 166501905
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide
CID 155574319
N-(2-chlorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317886
3,4,5-trimethoxy-N-[(1S,5R)-9-[2-(4-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 71768225
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
N-(2,3-dichlorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768892
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 54950079

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (CID 155574290) is N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is COc1ccc(C(=O)CNC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The InChIKey is IEMUZJNNAQFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-32-21-11-9-17(10-12-21)24(30)15-27-18-13-19-5-4-6-20(14-18)29(19)16-25(31)28-23-8-3-2-7-22(23)26/h2-3,7-12,18-20,27H,4-6,13-16H2,1H3,(H,28,31).
What are the key properties of N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide has a molecular weight of 455.99 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is sourced from PubChem (CID 155574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).