(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine

C55H80N4O5 — CID 157089676

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC.CC.COc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1.Cc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1.Cc1ccccc1.N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C22H25NO3.C16H21NO2.C7H8.C6H14N2.2C2H6/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18;1-11-6-7-12(13-9-16(18)17-10-13)8-15(11)19-14-4-2-3-5-14;1-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8;2*1-2/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3;6-8,13-14H,2-5,9-10H2,1H3,(H,17,18);2-6H,1H3;5-6H,1-4,7-8H2;2*1-2H3/t17-;13-;;5-,6-;;/m00.1../s1
InChIKeyAENBWYLQWCCUQK-OYFUZEJUSA-N
MW877.27 g/mol
LogP11.72
Rot. Bonds8

About (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 157089676) has the molecular formula C55H80N4O5 and a molecular weight of 877.27 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID157089676
Molecular FormulaC55H80N4O5
Molecular Weight877.27 g/mol
Exact Mass876.61
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC.CC.COc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1.Cc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1.Cc1ccccc1.N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C22H25NO3.C16H21NO2.C7H8.C6H14N2.2C2H6/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18;1-11-6-7-12(13-9-16(18)17-10-13)8-15(11)19-14-4-2-3-5-14;1-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8;2*1-2/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3;6-8,13-14H,2-5,9-10H2,1H3,(H,17,18);2-6H,1H3;5-6H,1-4,7-8H2;2*1-2H3/t17-;13-;;5-,6-;;/m00.1../s1
InChIKeyAENBWYLQWCCUQK-OYFUZEJUSA-N
XLogP11.72
TPSA129.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.27
LogP ≤ 511.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine with MolForge

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Related Compounds

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
4-(bromomethyl)-1-cyclopentyloxy-2-methoxybenzene;4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 162092227
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958398
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 71029510

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine (CID 157089676) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine is CC.CC.COc1ccc([C@H]2CC(=O)N(c3ccccc3)C2)cc1OC1CCCC1.Cc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1.Cc1ccccc1.N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is AENBWYLQWCCUQK-OYFUZEJUSA-N. The full InChI is InChI=1S/C22H25NO3.C16H21NO2.C7H8.C6H14N2.2C2H6/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18;1-11-6-7-12(13-9-16(18)17-10-13)8-15(11)19-14-4-2-3-5-14;1-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8;2*1-2/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3;6-8,13-14H,2-5,9-10H2,1H3,(H,17,18);2-6H,1H3;5-6H,1-4,7-8H2;2*1-2H3/t17-;13-;;5-,6-;;/m00.1../s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 877.27 g/mol, XLogP of 11.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 157089676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).