N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide

C34H40N2O — CID 10278214

IUPACN,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
InChIKeyYMEAXELZMGDHIH-UHFFFAOYSA-N
MW492.71 g/mol
LogP7.23
Rot. Bonds9

About N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide

N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide (PubChem CID 10278214) has the molecular formula C34H40N2O and a molecular weight of 492.71 g/mol. Its IUPAC name is N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
PubChem CID10278214
Molecular FormulaC34H40N2O
Molecular Weight492.71 g/mol
Exact Mass492.31
IUPAC NameN,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
InChIKeyYMEAXELZMGDHIH-UHFFFAOYSA-N
XLogP7.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide with MolForge

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Related Compounds

AR-M1000390
CID 9841259
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
CID 14553502
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
[4-(Azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10070496
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
N,N-Diethyl-4-[(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-phenyl-methyl]-benzamide
CID 10205965
N-ethyl-4-((8-phenethyl-8-azabicyclo(3.2.1)oct-3-ylidene)phenylmethyl)benzamide
CID 10225885

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide (CID 10278214) is N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
The InChIKey is YMEAXELZMGDHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3.
What are the key properties of N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide?
N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide has a molecular weight of 492.71 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[phenyl-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide is sourced from PubChem (CID 10278214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).