N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide

C60H96N8O9 — CID 162814703

IUPACN-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESC=CCCCCC(C)CC(C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C(C)=O)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C60H96N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h17,20,22-23,28-29,38-43,46-52H,1,18-19,21,24-27,30-37H2,2-16H3
InChIKeyTUXBGEXEMQTLAI-UHFFFAOYSA-N
MW1073.47 g/mol
LogP6.32
Rot. Bonds26

About N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide

N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 162814703) has the molecular formula C60H96N8O9 and a molecular weight of 1073.47 g/mol. Its IUPAC name is N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID162814703
Molecular FormulaC60H96N8O9
Molecular Weight1073.47 g/mol
Exact Mass1072.73
IUPAC NameN-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESC=CCCCCC(C)CC(C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C(C)=O)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C60H96N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h17,20,22-23,28-29,38-43,46-52H,1,18-19,21,24-27,30-37H2,2-16H3
InChIKeyTUXBGEXEMQTLAI-UHFFFAOYSA-N
XLogP6.32
TPSA179.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide (CID 162814703) is N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide is C=CCCCCC(C)CC(C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C(C)=O)C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is TUXBGEXEMQTLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H96N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h17,20,22-23,28-29,38-43,46-52H,1,18-19,21,24-27,30-37H2,2-16H3.
What are the key properties of N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide?
N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 1073.47 g/mol, XLogP of 6.32, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[[1-[[1-[2-(2-acetylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2,4-dimethyldec-9-enoyl(methyl)amino]propanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162814703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).