(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone

C24H27NO3 — CID 154842350

IUPAC(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone
SMILESO=C(C1CCOC(c2ccccc2)O1)N1CC2CCCCC21c1ccccc1
InChIInChI=1S/C24H27NO3/c26-22(21-14-16-27-23(28-21)18-9-3-1-4-10-18)25-17-20-13-7-8-15-24(20,25)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2
InChIKeyVHGXFUWGQVEYEV-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.42
Rot. Bonds3

About (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone

(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone (PubChem CID 154842350) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone.

Molecular Properties

Compound Name(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone
PubChem CID154842350
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone
SMILESO=C(C1CCOC(c2ccccc2)O1)N1CC2CCCCC21c1ccccc1
InChIInChI=1S/C24H27NO3/c26-22(21-14-16-27-23(28-21)18-9-3-1-4-10-18)25-17-20-13-7-8-15-24(20,25)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2
InChIKeyVHGXFUWGQVEYEV-UHFFFAOYSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(1R,6S)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]methanone
CID 96541488
(2,4-dihydroxyphenyl)-[(1R,6S)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]methanone
CID 99621290
N-(3-acetamidopropyl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 75443016
(1S,6S)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97331908
[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 97081416
(1S,6S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97257126
(1S,6S)-N-(4-nitrophenyl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97014955
(1R,6S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97158351
N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 71846159
1-[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 96541511
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 75397417
(2S,4S)-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide
CID 56647526

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone?
The IUPAC name of (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone (CID 154842350) is (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone.
What is the SMILES notation for (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone?
The canonical SMILES for (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone is O=C(C1CCOC(c2ccccc2)O1)N1CC2CCCCC21c1ccccc1.
What is the InChIKey of (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone?
The InChIKey is VHGXFUWGQVEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-22(21-14-16-27-23(28-21)18-9-3-1-4-10-18)25-17-20-13-7-8-15-24(20,25)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2.
What are the key properties of (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone?
(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone has a molecular weight of 377.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)-(2-phenyl-1,3-dioxan-4-yl)methanone is sourced from PubChem (CID 154842350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).