4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide

C29H36N2O2 — CID 46062966

IUPAC4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(Cc3ccc(C)o3)CC2c2ccccc2)cc1
InChIInChI=1S/C29H36N2O2/c1-21(2)16-31(29(32)25-13-10-22(3)11-14-25)18-26-17-30(19-27-15-12-23(4)33-27)20-28(26)24-8-6-5-7-9-24/h5-15,21,26,28H,16-20H2,1-4H3
InChIKeyLAYZZVWVEAYMPA-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.91
Rot. Bonds8

About 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide

4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46062966) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46062966
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(Cc3ccc(C)o3)CC2c2ccccc2)cc1
InChIInChI=1S/C29H36N2O2/c1-21(2)16-31(29(32)25-13-10-22(3)11-14-25)18-26-17-30(19-27-15-12-23(4)33-27)20-28(26)24-8-6-5-7-9-24/h5-15,21,26,28H,16-20H2,1-4H3
InChIKeyLAYZZVWVEAYMPA-UHFFFAOYSA-N
XLogP5.91
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992590
N-[[(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992591
4-fluoro-N-[[(3S,4R)-4-(2-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92992425
N-[[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 100897552
4-methyl-N-(2-methylpropyl)-N-[[(3R,4R)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]benzamide
CID 129427944
N-[[4-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42864103
N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000939
4-fluoro-N-[[1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864102
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42864135
N-[[(3S,4S)-4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92992548
N-[[1-[(3,5-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42847936
N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 42847863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46062966) is 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(C)C)CC2CN(Cc3ccc(C)o3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is LAYZZVWVEAYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-21(2)16-31(29(32)25-13-10-22(3)11-14-25)18-26-17-30(19-27-15-12-23(4)33-27)20-28(26)24-8-6-5-7-9-24/h5-15,21,26,28H,16-20H2,1-4H3.
What are the key properties of 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 444.62 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).