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

C88H92N10O16 — CID 160940604

IUPAC3-[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
SMILESCCCCOc1cc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1OC.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC#N.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC1CC1.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C24H23N3O4.C22H24N2O4.C22H26N2O4.C20H19N3O4/c1-30-21-9-8-16(12-22(21)31-15-19-6-2-3-10-26-19)18-13-23(28)27(14-18)20-7-4-5-17(11-20)24(25)29;1-27-19-8-7-15(10-20(19)28-13-14-5-6-14)17-11-21(25)24(12-17)18-4-2-3-16(9-18)22(23)26;1-3-4-10-28-20-12-15(8-9-19(20)27-2)17-13-21(25)24(14-17)18-7-5-6-16(11-18)22(23)26;1-26-17-6-5-13(10-18(17)27-8-7-21)15-11-19(24)23(12-15)16-4-2-3-14(9-16)20(22)25/h2-12,18H,13-15H2,1H3,(H2,25,29);2-4,7-10,14,17H,5-6,11-13H2,1H3,(H2,23,26);5-9,11-12,17H,3-4,10,13-14H2,1-2H3,(H2,23,26);2-6,9-10,15H,8,11-12H2,1H3,(H2,22,25)
InChIKeySULOUVSWZXGISQ-UHFFFAOYSA-N
MW1545.76 g/mol
LogP12.10
Rot. Bonds28

About 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

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 (PubChem CID 160940604) has the molecular formula C88H92N10O16 and a molecular weight of 1545.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160940604
Molecular FormulaC88H92N10O16
Molecular Weight1545.76 g/mol
Exact Mass1544.67
IUPAC Name3-[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
SMILESCCCCOc1cc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1OC.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC#N.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC1CC1.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C24H23N3O4.C22H24N2O4.C22H26N2O4.C20H19N3O4/c1-30-21-9-8-16(12-22(21)31-15-19-6-2-3-10-26-19)18-13-23(28)27(14-18)20-7-4-5-17(11-20)24(25)29;1-27-19-8-7-15(10-20(19)28-13-14-5-6-14)17-11-21(25)24(12-17)18-4-2-3-16(9-18)22(23)26;1-3-4-10-28-20-12-15(8-9-19(20)27-2)17-13-21(25)24(14-17)18-7-5-6-16(11-18)22(23)26;1-26-17-6-5-13(10-18(17)27-8-7-21)15-11-19(24)23(12-15)16-4-2-3-14(9-16)20(22)25/h2-12,18H,13-15H2,1H3,(H2,25,29);2-4,7-10,14,17H,5-6,11-13H2,1H3,(H2,23,26);5-9,11-12,17H,3-4,10,13-14H2,1-2H3,(H2,23,26);2-6,9-10,15H,8,11-12H2,1H3,(H2,22,25)
InChIKeySULOUVSWZXGISQ-UHFFFAOYSA-N
XLogP12.10
TPSA364.12 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001545.76
LogP ≤ 512.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566829
4-[(4R)-4-[3-(2-isocyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566981
3-[4-[4-Methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 57887145
3-[4-[4-Methoxy-3-(pyridin-2-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 57887177
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 68828383
(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
3-[4-(3-Butoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide;3-[4-[3-(cyclopropylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;ethyl 2-[3-[1-(3-carbamoylphenyl)-5-oxopyrrolidin-3-yl]phenoxy]acetate;3-[4-[4-methoxy-2-(pyridin-4-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 157750637
5-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;5-[(4R)-4-[3-(2-isocyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 157773329
5,15-bis(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)-10,20-diphenyl-21,23-dihydroporphyrin;bis(4-[[(4-tert-butylphenyl)methylamino]methyl]-N-pyridin-4-ylbenzamide);cobalt
CID 157904283
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCOc1cc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1OC.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC#N.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCC1CC1.COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1ccccn1.
What is the InChIKey of 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?
The InChIKey is SULOUVSWZXGISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4.C22H24N2O4.C22H26N2O4.C20H19N3O4/c1-30-21-9-8-16(12-22(21)31-15-19-6-2-3-10-26-19)18-13-23(28)27(14-18)20-7-4-5-17(11-20)24(25)29;1-27-19-8-7-15(10-20(19)28-13-14-5-6-14)17-11-21(25)24(12-17)18-4-2-3-16(9-18)22(23)26;1-3-4-10-28-20-12-15(8-9-19(20)27-2)17-13-21(25)24(14-17)18-7-5-6-16(11-18)22(23)26;1-26-17-6-5-13(10-18(17)27-8-7-21)15-11-19(24)23(12-15)16-4-2-3-14(9-16)20(22)25/h2-12,18H,13-15H2,1H3,(H2,25,29);2-4,7-10,14,17H,5-6,11-13H2,1H3,(H2,23,26);5-9,11-12,17H,3-4,10,13-14H2,1-2H3,(H2,23,26);2-6,9-10,15H,8,11-12H2,1H3,(H2,22,25).
What are the key properties of 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?
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 has a molecular weight of 1545.76 g/mol, XLogP of 12.10, 28 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160940604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).