[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate

C18H17NO4 — CID 2553980

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CC1
InChIInChI=1S/C18H17NO4/c20-17(19-13-10-11-13)12-22-18(21)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,20)
InChIKeyBAJBACYXWVCBGS-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.91
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2553980) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2553980
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CC1
InChIInChI=1S/C18H17NO4/c20-17(19-13-10-11-13)12-22-18(21)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,20)
InChIKeyBAJBACYXWVCBGS-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate (CID 2553980) is [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate is O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is BAJBACYXWVCBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(19-13-10-11-13)12-22-18(21)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 311.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2553980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).