N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide

C27H35ClN2O — CID 42870240

IUPACN-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CC1CN(Cc2ccc(Cl)cc2)CC1c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C27H35ClN2O/c1-20-8-12-23(13-9-20)27-19-29(16-22-10-14-25(28)15-11-22)17-24(27)18-30(21(2)31)26-6-4-3-5-7-26/h8-15,24,26-27H,3-7,16-19H2,1-2H3
InChIKeyBBJYSKUJZGRLBE-UHFFFAOYSA-N
MW439.04 g/mol
LogP6.05
Rot. Bonds6

About N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide

N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide (PubChem CID 42870240) has the molecular formula C27H35ClN2O and a molecular weight of 439.04 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide
PubChem CID42870240
Molecular FormulaC27H35ClN2O
Molecular Weight439.04 g/mol
Exact Mass438.24
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CC1CN(Cc2ccc(Cl)cc2)CC1c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C27H35ClN2O/c1-20-8-12-23(13-9-20)27-19-29(16-22-10-14-25(28)15-11-22)17-24(27)18-30(21(2)31)26-6-4-3-5-7-26/h8-15,24,26-27H,3-7,16-19H2,1-2H3
InChIKeyBBJYSKUJZGRLBE-UHFFFAOYSA-N
XLogP6.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.04
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
N-cyclohexyl-2-methyl-N-[[4-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 42870251
N-cyclohexyl-2-methyl-N-[[1-[(4-nitrophenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]propanamide
CID 42870167
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863591
N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42863585
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864220
N-cyclohexyl-N-[[(3S,4R)-1-[[4-(dimethylamino)phenyl]methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 98634851
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863586
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533
N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
CID 42863594
N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 42847863
[(3S,4R)-3-[[cyclohexyl(methyl)amino]methyl]-4-phenylpyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 92991633

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide (CID 42870240) is N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide is CC(=O)N(CC1CN(Cc2ccc(Cl)cc2)CC1c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide?
The InChIKey is BBJYSKUJZGRLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O/c1-20-8-12-23(13-9-20)27-19-29(16-22-10-14-25(28)15-11-22)17-24(27)18-30(21(2)31)26-6-4-3-5-7-26/h8-15,24,26-27H,3-7,16-19H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide?
N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide has a molecular weight of 439.04 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylacetamide is sourced from PubChem (CID 42870240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).