cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone

C30H40N2O2 — CID 134532428

IUPACcyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCC2)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C30H40N2O2/c1-34-28-17-16-25(22-10-8-9-11-22)20-26(28)21-31-27-18-19-32(29(27)23-12-4-2-5-13-23)30(33)24-14-6-3-7-15-24/h2,4-5,12-13,16-17,20,22,24,27,29,31H,3,6-11,14-15,18-19,21H2,1H3
InChIKeyAOIASDXCQZTHSS-UHFFFAOYSA-N
MW460.66 g/mol
LogP6.36
Rot. Bonds7

About cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone

cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 134532428) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone
PubChem CID134532428
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Namecyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCC2)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C30H40N2O2/c1-34-28-17-16-25(22-10-8-9-11-22)20-26(28)21-31-27-18-19-32(29(27)23-12-4-2-5-13-23)30(33)24-14-6-3-7-15-24/h2,4-5,12-13,16-17,20,22,24,27,29,31H,3,6-11,14-15,18-19,21H2,1H3
InChIKeyAOIASDXCQZTHSS-UHFFFAOYSA-N
XLogP6.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[3-[[5-(2-ethylbutyl)-2-methoxyphenyl]methylamino]-2-phenylpyrrolidin-1-yl]methanone
CID 134532572
cyclohexyl-[3-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]-2-phenylpyrrolidin-1-yl]methanone
CID 134532747
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858678
1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 159497901
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[(2-methoxy-5-phenylphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858317
tert-butyl (2S,3S)-3-[[2-methoxy-5-(2-methyl-4-phenylbut-3-yn-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 70137423
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(4-methylphenyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858105
tert-butyl (2S,3S)-3-[[2-methoxy-5-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 70001040
(2S,3S,4S,5S)-4-[[5-(1-adamantyl)-2-methoxyphenyl]methylamino]-3-tert-butyl-1-(cyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 134532573
tert-butyl (2S,3S)-3-[[2-methoxy-5-(5,5,5-trifluoro-2-methylpent-3-yn-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 70001735
(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54178989
(2S,3S,4S,5S)-3-(1-bicyclo[1.1.1]pentanyl)-1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858608

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone (CID 134532428) is cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone is COc1ccc(C2CCCC2)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1ccccc1.
What is the InChIKey of cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is AOIASDXCQZTHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-34-28-17-16-25(22-10-8-9-11-22)20-26(28)21-31-27-18-19-32(29(27)23-12-4-2-5-13-23)30(33)24-14-6-3-7-15-24/h2,4-5,12-13,16-17,20,22,24,27,29,31H,3,6-11,14-15,18-19,21H2,1H3.
What are the key properties of cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone?
cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 460.66 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(5-cyclopentyl-2-methoxyphenyl)methylamino]-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 134532428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).