[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate

C20H17NO4 — CID 7229191

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H17NO4/c22-19(21-13-16-9-6-12-24-16)14-25-20(23)18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,22)
InChIKeyDEHQRTHGPQBIDO-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229191) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229191
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H17NO4/c22-19(21-13-16-9-6-12-24-16)14-25-20(23)18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,22)
InChIKeyDEHQRTHGPQBIDO-UHFFFAOYSA-N
XLogP3.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate (CID 7229191) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is DEHQRTHGPQBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(21-13-16-9-6-12-24-16)14-25-20(23)18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 335.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).