[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate

C15H28N2O5 — CID 15446111

IUPAC[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate
SMILESCCOC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C15H28N2O5/c1-8-21-14(20)22-9-15(5,6)16-13(19)12(10(2)3)17(7)11(4)18/h10,12H,8-9H2,1-7H3,(H,16,19)
InChIKeyBZGRWKCDTKSWQP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.56
Rot. Bonds7

About [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate

[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate (PubChem CID 15446111) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate.

Molecular Properties

Compound Name[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate
PubChem CID15446111
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate
SMILESCCOC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C15H28N2O5/c1-8-21-14(20)22-9-15(5,6)16-13(19)12(10(2)3)17(7)11(4)18/h10,12H,8-9H2,1-7H3,(H,16,19)
InChIKeyBZGRWKCDTKSWQP-UHFFFAOYSA-N
XLogP1.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate?
The IUPAC name of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate (CID 15446111) is [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate.
What is the SMILES notation for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate?
The canonical SMILES for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate is CCOC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O.
What is the InChIKey of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate?
The InChIKey is BZGRWKCDTKSWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-8-21-14(20)22-9-15(5,6)16-13(19)12(10(2)3)17(7)11(4)18/h10,12H,8-9H2,1-7H3,(H,16,19).
What are the key properties of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate?
[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate has a molecular weight of 316.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate is sourced from PubChem (CID 15446111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).