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

C25H30ClN3O3 — CID 166501852

IUPACN-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O3/c1-32-23-11-3-2-6-17(23)12-24(30)28-20-14-21-9-5-10-22(15-20)29(21)16-25(31)27-19-8-4-7-18(26)13-19/h2-4,6-8,11,13,20-22H,5,9-10,12,14-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyLAYNMSNKVFETLX-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.03
Rot. Bonds7

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

N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 166501852) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID166501852
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O3/c1-32-23-11-3-2-6-17(23)12-24(30)28-20-14-21-9-5-10-22(15-20)29(21)16-25(31)27-19-8-4-7-18(26)13-19/h2-4,6-8,11,13,20-22H,5,9-10,12,14-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyLAYNMSNKVFETLX-UHFFFAOYSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,6-dimethoxybenzamide
CID 155574283
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
3,4,5-trimethoxy-N-[(1S,5R)-9-[2-(4-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 71768225
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
CID 155574259
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 3220652
N-(2,6-diethylphenyl)-2-[(1S,5S)-3-[(2-ethoxyphenyl)carbamoylamino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 98111238
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461552

Frequently Asked Questions

What is the IUPAC name of N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide (CID 166501852) is N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is LAYNMSNKVFETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-32-23-11-3-2-6-17(23)12-24(30)28-20-14-21-9-5-10-22(15-20)29(21)16-25(31)27-19-8-4-7-18(26)13-19/h2-4,6-8,11,13,20-22H,5,9-10,12,14-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide?
N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 455.99 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 166501852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).