4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide

C29H30N2O — CID 10113006

IUPAC4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
SMILESNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N2O/c30-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)31(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H2,30,32)
InChIKeyQHJZNRSKPHVMHF-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.46
Rot. Bonds6

About 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide

4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide (PubChem CID 10113006) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide.

Molecular Properties

Compound Name4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
PubChem CID10113006
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
SMILESNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30N2O/c30-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)31(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H2,30,32)
InChIKeyQHJZNRSKPHVMHF-UHFFFAOYSA-N
XLogP5.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The IUPAC name of 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide (CID 10113006) is 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide.
What is the SMILES notation for 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The canonical SMILES for 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide is NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The InChIKey is QHJZNRSKPHVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c30-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)31(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H2,30,32).
What are the key properties of 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide is sourced from PubChem (CID 10113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).