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[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C18H26N2O7 — CID 8013820

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-6-11(2)19-18(23)20-15(21)10-27-16(22)9-12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKeyUGJDXSTWCILWMM-LLVKDONJSA-N
MW382.41 g/mol
LogP1.42
Rot. Bonds9

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8013820) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8013820
Molecular FormulaC18H26N2O7
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-6-11(2)19-18(23)20-15(21)10-27-16(22)9-12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKeyUGJDXSTWCILWMM-LLVKDONJSA-N
XLogP1.42
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 8013820) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is UGJDXSTWCILWMM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H26N2O7/c1-6-11(2)19-18(23)20-15(21)10-27-16(22)9-12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H2,19,20,21,23)/t11-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 382.41 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8013820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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