N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide

C32H38N2O — CID 42863591

IUPACN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2)CC1CN(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H38N2O/c1-25-13-11-12-20-30(25)31-24-33(21-26-14-5-2-6-15-26)22-28(31)23-34(29-18-9-4-10-19-29)32(35)27-16-7-3-8-17-27/h2-3,5-8,11-17,20,28-29,31H,4,9-10,18-19,21-24H2,1H3
InChIKeyIMVFDENADQCKFY-UHFFFAOYSA-N
MW466.67 g/mol
LogP6.69
Rot. Bonds7

About N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide

N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide (PubChem CID 42863591) has the molecular formula C32H38N2O and a molecular weight of 466.67 g/mol. Its IUPAC name is N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
PubChem CID42863591
Molecular FormulaC32H38N2O
Molecular Weight466.67 g/mol
Exact Mass466.30
IUPAC NameN-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2)CC1CN(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H38N2O/c1-25-13-11-12-20-30(25)31-24-33(21-26-14-5-2-6-15-26)22-28(31)23-34(29-18-9-4-10-19-29)32(35)27-16-7-3-8-17-27/h2-3,5-8,11-17,20,28-29,31H,4,9-10,18-19,21-24H2,1H3
InChIKeyIMVFDENADQCKFY-UHFFFAOYSA-N
XLogP6.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[[(3S,4R)-1-[[4-(dimethylamino)phenyl]methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 98634851
N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 92992411
N-cyclohexyl-N-[[(3S,4S)-1-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 129427567
N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 46062928
N-cyclohexyl-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 129427225
N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 42863981
N-cyclohexyl-4-fluoro-N-[[(3S,4R)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 100900420
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863586
N-cyclopropyl-3-methyl-N-[[4-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 42864184
N-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992335
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42847844

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The IUPAC name of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide (CID 42863591) is N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The canonical SMILES for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide is Cc1ccccc1C1CN(Cc2ccccc2)CC1CN(C(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The InChIKey is IMVFDENADQCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O/c1-25-13-11-12-20-30(25)31-24-33(21-26-14-5-2-6-15-26)22-28(31)23-34(29-18-9-4-10-19-29)32(35)27-16-7-3-8-17-27/h2-3,5-8,11-17,20,28-29,31H,4,9-10,18-19,21-24H2,1H3.
What are the key properties of N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide has a molecular weight of 466.67 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 42863591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).