N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide

C36H44N2O4 — CID 10281432

IUPACN,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H44N2O4/c1-40-23-21-37(22-24-41-2)36(39)30-13-11-29(12-14-30)35(28-7-5-4-6-8-28)31-25-32-15-16-33(26-31)38(32)20-19-27-9-17-34(42-3)18-10-27/h4-14,17-18,32-33H,15-16,19-26H2,1-3H3
InChIKeyUGXPQFFSAUNJQX-UHFFFAOYSA-N
MW568.76 g/mol
LogP6.10
Rot. Bonds13

About N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide

N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide (PubChem CID 10281432) has the molecular formula C36H44N2O4 and a molecular weight of 568.76 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
PubChem CID10281432
Molecular FormulaC36H44N2O4
Molecular Weight568.76 g/mol
Exact Mass568.33
IUPAC NameN,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H44N2O4/c1-40-23-21-37(22-24-41-2)36(39)30-13-11-29(12-14-30)35(28-7-5-4-6-8-28)31-25-32-15-16-33(26-31)38(32)20-19-27-9-17-34(42-3)18-10-27/h4-14,17-18,32-33H,15-16,19-26H2,1-3H3
InChIKeyUGXPQFFSAUNJQX-UHFFFAOYSA-N
XLogP6.10
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide (CID 10281432) is N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide is COCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(OC)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide?
The InChIKey is UGXPQFFSAUNJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O4/c1-40-23-21-37(22-24-41-2)36(39)30-13-11-29(12-14-30)35(28-7-5-4-6-8-28)31-25-32-15-16-33(26-31)38(32)20-19-27-9-17-34(42-3)18-10-27/h4-14,17-18,32-33H,15-16,19-26H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide?
N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide has a molecular weight of 568.76 g/mol, XLogP of 6.10, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-[[8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide is sourced from PubChem (CID 10281432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).