5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C22H23N3O4 — CID 156609917

IUPAC5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC2CC1CN2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C22H23N3O4/c26-21(14-4-2-1-3-5-14)24-18-12-17-10-15(18)13-25(17)22(27)23-16-6-7-19-20(11-16)29-9-8-28-19/h1-7,11,15,17-18H,8-10,12-13H2,(H,23,27)(H,24,26)
InChIKeyVXAVRYZNLDXOOV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.88
Rot. Bonds3

About 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156609917) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156609917
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC2CC1CN2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C22H23N3O4/c26-21(14-4-2-1-3-5-14)24-18-12-17-10-15(18)13-25(17)22(27)23-16-6-7-19-20(11-16)29-9-8-28-19/h1-7,11,15,17-18H,8-10,12-13H2,(H,23,27)(H,24,26)
InChIKeyVXAVRYZNLDXOOV-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
(2S,4S)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443805
(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 53184818
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112781040
(2R,4S)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196943
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
CID 53184800
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965147

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156609917) is 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CC2CC1CN2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VXAVRYZNLDXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(14-4-2-1-3-5-14)24-18-12-17-10-15(18)13-25(17)22(27)23-16-6-7-19-20(11-16)29-9-8-28-19/h1-7,11,15,17-18H,8-10,12-13H2,(H,23,27)(H,24,26).
What are the key properties of 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).