[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate

C20H20N2O5 — CID 40616539

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H20N2O5/c23-18(12-27-19(24)13-26-15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)21-14-10-11-14/h1-9,14H,10-13H2,(H,21,25)(H,22,23)
InChIKeyQENQRCNTNNWWLW-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.14
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 40616539) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID40616539
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H20N2O5/c23-18(12-27-19(24)13-26-15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)21-14-10-11-14/h1-9,14H,10-13H2,(H,21,25)(H,22,23)
InChIKeyQENQRCNTNNWWLW-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate (CID 40616539) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is QENQRCNTNNWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(12-27-19(24)13-26-15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)21-14-10-11-14/h1-9,14H,10-13H2,(H,21,25)(H,22,23).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 368.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 40616539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).