N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide

C31H36N2O2 — CID 91114500

IUPACN,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2ccccc2OCc2cccc(C)c2)cc1
InChIInChI=1S/C31H36N2O2/c1-4-33(5-2)31(34)26-18-16-25(17-19-26)30(28-14-8-9-20-32-28)27-13-6-7-15-29(27)35-22-24-12-10-11-23(3)21-24/h6-7,10-13,15-19,21,30H,4-5,8-9,14,20,22H2,1-3H3
InChIKeyZVNAWUWRJPMTTD-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.81
Rot. Bonds9

About N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide

N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide (PubChem CID 91114500) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
PubChem CID91114500
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2ccccc2OCc2cccc(C)c2)cc1
InChIInChI=1S/C31H36N2O2/c1-4-33(5-2)31(34)26-18-16-25(17-19-26)30(28-14-8-9-20-32-28)27-13-6-7-15-29(27)35-22-24-12-10-11-23(3)21-24/h6-7,10-13,15-19,21,30H,4-5,8-9,14,20,22H2,1-3H3
InChIKeyZVNAWUWRJPMTTD-UHFFFAOYSA-N
XLogP6.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]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-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide (CID 91114500) is N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2ccccc2OCc2cccc(C)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The InChIKey is ZVNAWUWRJPMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-4-33(5-2)31(34)26-18-16-25(17-19-26)30(28-14-8-9-20-32-28)27-13-6-7-15-29(27)35-22-24-12-10-11-23(3)21-24/h6-7,10-13,15-19,21,30H,4-5,8-9,14,20,22H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide has a molecular weight of 468.64 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[(3-methylphenyl)methoxy]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide is sourced from PubChem (CID 91114500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).