[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate

C31H56N4O11 — CID 157315892

IUPAC[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
SMILESCOC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C.COC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C16H28N2O6.C15H28N2O5/c1-9(11(3)19)17(6)15(21)13(5)24-16(22)10(2)18(7)14(20)12(4)23-8;1-9(2)16(6)14(19)12(5)22-15(20)10(3)17(7)13(18)11(4)21-8/h9-10,12-13H,1-8H3;9-12H,1-8H3
InChIKeyBDOWLKLSKSUDMP-UHFFFAOYSA-N
MW660.81 g/mol
LogP0.90
Rot. Bonds15

About [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate

[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate (PubChem CID 157315892) has the molecular formula C31H56N4O11 and a molecular weight of 660.81 g/mol. Its IUPAC name is [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Name[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
PubChem CID157315892
Molecular FormulaC31H56N4O11
Molecular Weight660.81 g/mol
Exact Mass660.39
IUPAC Name[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
SMILESCOC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C.COC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C16H28N2O6.C15H28N2O5/c1-9(11(3)19)17(6)15(21)13(5)24-16(22)10(2)18(7)14(20)12(4)23-8;1-9(2)16(6)14(19)12(5)22-15(20)10(3)17(7)13(18)11(4)21-8/h9-10,12-13H,1-8H3;9-12H,1-8H3
InChIKeyBDOWLKLSKSUDMP-UHFFFAOYSA-N
XLogP0.90
TPSA169.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.81
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate?
The IUPAC name of [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate (CID 157315892) is [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate.
What is the SMILES notation for [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate?
The canonical SMILES for [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate is COC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C.COC(C)C(=O)N(C)C(C)C(=O)OC(C)C(=O)N(C)C(C)C(C)=O.
What is the InChIKey of [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate?
The InChIKey is BDOWLKLSKSUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6.C15H28N2O5/c1-9(11(3)19)17(6)15(21)13(5)24-16(22)10(2)18(7)14(20)12(4)23-8;1-9(2)16(6)14(19)12(5)22-15(20)10(3)17(7)13(18)11(4)21-8/h9-10,12-13H,1-8H3;9-12H,1-8H3.
What are the key properties of [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate?
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate has a molecular weight of 660.81 g/mol, XLogP of 0.90, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 157315892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).