1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C85H123N13O14 — CID 167710589

IUPAC1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C29H43N5O4.2C28H40N4O5/c1-18(20-9-11-21(12-10-20)33-14-13-30-19(33)2)31-26(37)23-15-22(35)17-34(23)27(38)25(29(6,7)8)32-24(36)16-28(3,4)5;1-17-21(16-37-31-17)19-10-8-18(9-11-19)14-29-25(35)22-12-20(33)15-32(22)26(36)24(28(5,6)7)30-23(34)13-27(2,3)4;1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-12-20(33)15-32(21)26(36)24(28(5,6)7)31-22(34)13-27(2,3)4/h9-14,18,22-23,25,35H,15-17H2,1-8H3,(H,31,37)(H,32,36);8-11,16,20,22,24,33H,12-15H2,1-7H3,(H,29,35)(H,30,34);8-11,16,20-21,24,33H,12-15H2,1-7H3,(H,29,35)(H,31,34)
InChIKeyZTWNCGLEOQWYNQ-UHFFFAOYSA-N
MW1551.00 g/mol
LogP9.68
Rot. Bonds21

About 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 167710589) has the molecular formula C85H123N13O14 and a molecular weight of 1551.00 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID167710589
Molecular FormulaC85H123N13O14
Molecular Weight1551.00 g/mol
Exact Mass1549.93
IUPAC Name1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C29H43N5O4.2C28H40N4O5/c1-18(20-9-11-21(12-10-20)33-14-13-30-19(33)2)31-26(37)23-15-22(35)17-34(23)27(38)25(29(6,7)8)32-24(36)16-28(3,4)5;1-17-21(16-37-31-17)19-10-8-18(9-11-19)14-29-25(35)22-12-20(33)15-32(22)26(36)24(28(5,6)7)30-23(34)13-27(2,3)4;1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-12-20(33)15-32(21)26(36)24(28(5,6)7)31-22(34)13-27(2,3)4/h9-14,18,22-23,25,35H,15-17H2,1-8H3,(H,31,37)(H,32,36);8-11,16,20,22,24,33H,12-15H2,1-7H3,(H,29,35)(H,30,34);8-11,16,20-21,24,33H,12-15H2,1-7H3,(H,29,35)(H,31,34)
InChIKeyZTWNCGLEOQWYNQ-UHFFFAOYSA-N
XLogP9.68
TPSA366.10 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001551.00
LogP ≤ 59.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 167710589) is 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZTWNCGLEOQWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O4.2C28H40N4O5/c1-18(20-9-11-21(12-10-20)33-14-13-30-19(33)2)31-26(37)23-15-22(35)17-34(23)27(38)25(29(6,7)8)32-24(36)16-28(3,4)5;1-17-21(16-37-31-17)19-10-8-18(9-11-19)14-29-25(35)22-12-20(33)15-32(22)26(36)24(28(5,6)7)30-23(34)13-27(2,3)4;1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-12-20(33)15-32(21)26(36)24(28(5,6)7)31-22(34)13-27(2,3)4/h9-14,18,22-23,25,35H,15-17H2,1-8H3,(H,31,37)(H,32,36);8-11,16,20,22,24,33H,12-15H2,1-7H3,(H,29,35)(H,30,34);8-11,16,20-21,24,33H,12-15H2,1-7H3,(H,29,35)(H,31,34).
What are the key properties of 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 1551.00 g/mol, XLogP of 9.68, 21 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).