[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate

C19H19NO4 — CID 4877306

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H19NO4/c1-13(18(21)20-14-11-12-14)23-19(22)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyMJPJDLKATYNOBX-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.30
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate (PubChem CID 4877306) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
PubChem CID4877306
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H19NO4/c1-13(18(21)20-14-11-12-14)23-19(22)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyMJPJDLKATYNOBX-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate (CID 4877306) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate is CC(OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The InChIKey is MJPJDLKATYNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(18(21)20-14-11-12-14)23-19(22)16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,21).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 4877306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).