2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C23H27N3O3 — CID 45144977

IUPAC2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C23H27N3O3/c27-23(14-18-6-8-20(9-7-18)26(28)29)24-19-15-21-10-11-22(16-19)25(21)13-12-17-4-2-1-3-5-17/h1-9,19,21-22H,10-16H2,(H,24,27)
InChIKeyZBLHKOXARVACNJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 45144977) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID45144977
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C23H27N3O3/c27-23(14-18-6-8-20(9-7-18)26(28)29)24-19-15-21-10-11-22(16-19)25(21)13-12-17-4-2-1-3-5-17/h1-9,19,21-22H,10-16H2,(H,24,27)
InChIKeyZBLHKOXARVACNJ-UHFFFAOYSA-N
XLogP3.49
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 45144983
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254984
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
CID 45144945
N-[1-[(4-nitrophenyl)carbamothioyl]piperidin-4-yl]-3-phenylpropanamide
CID 43076661
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
CID 54382038
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 45144977) is 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is ZBLHKOXARVACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23(14-18-6-8-20(9-7-18)26(28)29)24-19-15-21-10-11-22(16-19)25(21)13-12-17-4-2-1-3-5-17/h1-9,19,21-22H,10-16H2,(H,24,27).
What are the key properties of 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 45144977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).