N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C48H87N7O9 — CID 90709629

IUPACN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1OC(C)(C)N(C)C1C(=O)O.CCCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O
InChIInChI=1S/C38H68N6O6.C10H19NO3/c1-13-16-17-18-19-30(27(8)45)43-22-25(6)20-31(36(43)48)42(12)38(50)33(24(4)5)44-23-26(7)21-32(37(44)49)41(11)35(47)29(15-3)40(10)34(46)28(14-2)39-9;1-6(2)8-7(9(12)13)11(5)10(3,4)14-8/h24-26,28-33,39H,13-23H2,1-12H3;6-8H,1-5H3,(H,12,13)
InChIKeyVUXUFQBHDQCUSN-UHFFFAOYSA-N
MW906.26 g/mol
LogP4.73
Rot. Bonds20

About N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 90709629) has the molecular formula C48H87N7O9 and a molecular weight of 906.26 g/mol. Its IUPAC name is N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound NameN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID90709629
Molecular FormulaC48H87N7O9
Molecular Weight906.26 g/mol
Exact Mass905.66
IUPAC NameN,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1OC(C)(C)N(C)C1C(=O)O.CCCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O
InChIInChI=1S/C38H68N6O6.C10H19NO3/c1-13-16-17-18-19-30(27(8)45)43-22-25(6)20-31(36(43)48)42(12)38(50)33(24(4)5)44-23-26(7)21-32(37(44)49)41(11)35(47)29(15-3)40(10)34(46)28(14-2)39-9;1-6(2)8-7(9(12)13)11(5)10(3,4)14-8/h24-26,28-33,39H,13-23H2,1-12H3;6-8H,1-5H3,(H,12,13)
InChIKeyVUXUFQBHDQCUSN-UHFFFAOYSA-N
XLogP4.73
TPSA180.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500906.26
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 90709629) is N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)C1OC(C)(C)N(C)C1C(=O)O.CCCCCCC(C(C)=O)N1CC(C)CC(N(C)C(=O)C(C(C)C)N2CC(C)CC(N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC)C2=O)C1=O.
What is the InChIKey of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is VUXUFQBHDQCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68N6O6.C10H19NO3/c1-13-16-17-18-19-30(27(8)45)43-22-25(6)20-31(36(43)48)42(12)38(50)33(24(4)5)44-23-26(7)21-32(37(44)49)41(11)35(47)29(15-3)40(10)34(46)28(14-2)39-9;1-6(2)8-7(9(12)13)11(5)10(3,4)14-8/h24-26,28-33,39H,13-23H2,1-12H3;6-8H,1-5H3,(H,12,13).
What are the key properties of N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 906.26 g/mol, XLogP of 4.73, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[5-methyl-3-[methyl-[2-[methyl-[2-(methylamino)butanoyl]amino]butanoyl]amino]-2-oxopiperidin-1-yl]-N-[5-methyl-2-oxo-1-(2-oxononan-3-yl)piperidin-3-yl]butanamide;2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 90709629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).