1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile

C66H74N8O9 — CID 158181380

IUPAC1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCCCCCC#N.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C23H23N3O3.C23H27N3O3.C20H24N2O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20;1-28-21-10-9-17(13-22(21)29-12-5-3-2-4-11-24)18-14-23(27)26(16-18)20-8-6-7-19(25)15-20;1-13(2)25-19-9-14(7-8-18(19)24-3)15-10-20(23)22(12-15)17-6-4-5-16(21)11-17/h2-11,13,17H,12,14-15,24H2,1H3;6-10,13,15,18H,2-5,12,14,16,25H2,1H3;4-9,11,13,15H,10,12,21H2,1-3H3/t17-;18-;/m00./s1
InChIKeyFYQFNYCEZJAXFM-PTQGBDKTSA-N
MW1123.36 g/mol
LogP11.62
Rot. Bonds20

About 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile

1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile (PubChem CID 158181380) has the molecular formula C66H74N8O9 and a molecular weight of 1123.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile
PubChem CID158181380
Molecular FormulaC66H74N8O9
Molecular Weight1123.36 g/mol
Exact Mass1122.56
IUPAC Name1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCCCCCC#N.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C23H23N3O3.C23H27N3O3.C20H24N2O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20;1-28-21-10-9-17(13-22(21)29-12-5-3-2-4-11-24)18-14-23(27)26(16-18)20-8-6-7-19(25)15-20;1-13(2)25-19-9-14(7-8-18(19)24-3)15-10-20(23)22(12-15)17-6-4-5-16(21)11-17/h2-11,13,17H,12,14-15,24H2,1H3;6-10,13,15,18H,2-5,12,14,16,25H2,1H3;4-9,11,13,15H,10,12,21H2,1-3H3/t17-;18-;/m00./s1
InChIKeyFYQFNYCEZJAXFM-PTQGBDKTSA-N
XLogP11.62
TPSA231.05 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.36
LogP ≤ 511.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
CID 57887112
(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one
CID 57887131
(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-2-one
CID 57887164
4-(1H-indol-4-ylamino)-5-[4-methoxy-3-[2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]phenyl]pyridine-3-carbonitrile
CID 68463431
(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-2-one;5-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]pentanenitrile
CID 157559467
4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
CID 158649914
4-[(4R)-4-[3-(2,6-dimethylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 159390053
3-[4-(3-Butoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide;3-[4-[3-(cyanomethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]benzamide;3-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]benzamide;3-[4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 160940604
2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 161384087
(4R)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-[3-(methylideneamino)phenyl]pyrrolidin-2-one
CID 163999182
1-(3-Aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one
CID 10000407
1-(3-Aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
CID 10452929

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile?
The IUPAC name of 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile (CID 158181380) is 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile.
What is the SMILES notation for 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile?
The canonical SMILES for 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile is COc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCCCCCC#N.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1.
What is the InChIKey of 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile?
The InChIKey is FYQFNYCEZJAXFM-PTQGBDKTSA-N. The full InChI is InChI=1S/C23H23N3O3.C23H27N3O3.C20H24N2O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20;1-28-21-10-9-17(13-22(21)29-12-5-3-2-4-11-24)18-14-23(27)26(16-18)20-8-6-7-19(25)15-20;1-13(2)25-19-9-14(7-8-18(19)24-3)15-10-20(23)22(12-15)17-6-4-5-16(21)11-17/h2-11,13,17H,12,14-15,24H2,1H3;6-10,13,15,18H,2-5,12,14,16,25H2,1H3;4-9,11,13,15H,10,12,21H2,1-3H3/t17-;18-;/m00./s1.
What are the key properties of 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile?
1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile has a molecular weight of 1123.36 g/mol, XLogP of 11.62, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-(4-methoxy-3-propan-2-yloxyphenyl)pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one;6-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]hexanenitrile is sourced from PubChem (CID 158181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).