2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide

C23H27N3O2 — CID 131946938

IUPAC2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
SMILESO=C(COc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C23H27N3O2/c27-21(15-28-20-9-5-2-6-10-20)24-22-18-13-25-11-12-26(14-18)17-23(22,16-25)19-7-3-1-4-8-19/h1-10,18,22H,11-17H2,(H,24,27)
InChIKeyFRQFTYFCSFJDEJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.75
Rot. Bonds5

About 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide

2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide (PubChem CID 131946938) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
PubChem CID131946938
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
SMILESO=C(COc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C23H27N3O2/c27-21(15-28-20-9-5-2-6-10-20)24-22-18-13-25-11-12-26(14-18)17-23(22,16-25)19-7-3-1-4-8-19/h1-10,18,22H,11-17H2,(H,24,27)
InChIKeyFRQFTYFCSFJDEJ-UHFFFAOYSA-N
XLogP1.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131912111
2-[4-(hydroxymethyl)phenyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131923030
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
3-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiophene-2-carboxamide
CID 91835034
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994
4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123275165
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide (CID 131946938) is 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide is O=C(COc1ccccc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
The InChIKey is FRQFTYFCSFJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21(15-28-20-9-5-2-6-10-20)24-22-18-13-25-11-12-26(14-18)17-23(22,16-25)19-7-3-1-4-8-19/h1-10,18,22H,11-17H2,(H,24,27).
What are the key properties of 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide?
2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide is sourced from PubChem (CID 131946938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).