2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide

C17H23N3O2 — CID 6488066

IUPAC2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C2CCC1CC(=O)NC2)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(13-5-3-2-4-6-13)19-17(22)11-20-14-7-8-15(20)10-18-16(21)9-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyDTZILFGWSSIWTQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds4

About 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide

2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide (PubChem CID 6488066) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
PubChem CID6488066
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C2CCC1CC(=O)NC2)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(13-5-3-2-4-6-13)19-17(22)11-20-14-7-8-15(20)10-18-16(21)9-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyDTZILFGWSSIWTQ-UHFFFAOYSA-N
XLogP1.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370399
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94813820
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide (CID 6488066) is 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C2CCC1CC(=O)NC2)c1ccccc1.
What is the InChIKey of 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is DTZILFGWSSIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(13-5-3-2-4-6-13)19-17(22)11-20-14-7-8-15(20)10-18-16(21)9-14/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide?
2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).