[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C25H30N2O6 — CID 27724693

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC
InChIInChI=1S/C25H30N2O6/c1-25(2,3)24(30)27-18-14-20(32-5)19(31-4)13-17(18)23(29)33-21(15-9-7-6-8-10-15)22(28)26-16-11-12-16/h6-10,13-14,16,21H,11-12H2,1-5H3,(H,26,28)(H,27,30)/t21-/m1/s1
InChIKeySKNNGGVCQGZTQL-OAQYLSRUSA-N
MW454.52 g/mol
LogP3.87
Rot. Bonds8

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 27724693) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID27724693
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC
InChIInChI=1S/C25H30N2O6/c1-25(2,3)24(30)27-18-14-20(32-5)19(31-4)13-17(18)23(29)33-21(15-9-7-6-8-10-15)22(28)26-16-11-12-16/h6-10,13-14,16,21H,11-12H2,1-5H3,(H,26,28)(H,27,30)/t21-/m1/s1
InChIKeySKNNGGVCQGZTQL-OAQYLSRUSA-N
XLogP3.87
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724694
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-acetamido-2-hydroxybenzoate
CID 95048471
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55368001

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 27724693) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is SKNNGGVCQGZTQL-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-25(2,3)24(30)27-18-14-20(32-5)19(31-4)13-17(18)23(29)33-21(15-9-7-6-8-10-15)22(28)26-16-11-12-16/h6-10,13-14,16,21H,11-12H2,1-5H3,(H,26,28)(H,27,30)/t21-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 454.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 27724693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).