N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide

C30H42N2O3 — CID 42870371

IUPACN-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1cccc(C2CN(Cc3ccccc3OC)CC2CN(C(=O)C(C)C)C2CCCCC2)c1
InChIInChI=1S/C30H42N2O3/c1-22(2)30(33)32(26-13-6-5-7-14-26)20-25-19-31(18-24-11-8-9-16-29(24)35-4)21-28(25)23-12-10-15-27(17-23)34-3/h8-12,15-17,22,25-26,28H,5-7,13-14,18-21H2,1-4H3
InChIKeyXHTFEUNJOWPLEW-UHFFFAOYSA-N
MW478.68 g/mol
LogP5.74
Rot. Bonds9

About N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide

N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 42870371) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
PubChem CID42870371
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC NameN-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1cccc(C2CN(Cc3ccccc3OC)CC2CN(C(=O)C(C)C)C2CCCCC2)c1
InChIInChI=1S/C30H42N2O3/c1-22(2)30(33)32(26-13-6-5-7-14-26)20-25-19-31(18-24-11-8-9-16-29(24)35-4)21-28(25)23-12-10-15-27(17-23)34-3/h8-12,15-17,22,25-26,28H,5-7,13-14,18-21H2,1-4H3
InChIKeyXHTFEUNJOWPLEW-UHFFFAOYSA-N
XLogP5.74
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870360
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-methylpropanamide
CID 42870372
N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870361
N-cyclohexyl-2-methyl-N-[[(3S,4R)-1-[(2-nitrophenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]propanamide
CID 129423187
N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
CID 42863594
N-[[1-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-methylcyclohexanamine
CID 42867071
N-cyclohexyl-2-methyl-N-[[1-[(4-nitrophenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]propanamide
CID 42870167
N-[[1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46071718
4-fluoro-N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 129428861
N-[[(3R,4S)-4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000892
N-[[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 98633174
N-[[1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864128

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide (CID 42870371) is N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide is COc1cccc(C2CN(Cc3ccccc3OC)CC2CN(C(=O)C(C)C)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is XHTFEUNJOWPLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-22(2)30(33)32(26-13-6-5-7-14-26)20-25-19-31(18-24-11-8-9-16-29(24)35-4)21-28(25)23-12-10-15-27(17-23)34-3/h8-12,15-17,22,25-26,28H,5-7,13-14,18-21H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide?
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 478.68 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42870371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).