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

C19H18N2O5 — CID 7150042

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)NCc1ccco1
InChIInChI=1S/C19H18N2O5/c22-18(21-12-15-6-4-10-25-15)13-26-19(23)16-7-1-2-8-17(16)20-11-14-5-3-9-24-14/h1-10,20H,11-13H2,(H,21,22)
InChIKeyZJHIKWOBDSMDHT-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.96
Rot. Bonds8

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7150042) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7150042
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)NCc1ccco1
InChIInChI=1S/C19H18N2O5/c22-18(21-12-15-6-4-10-25-15)13-26-19(23)16-7-1-2-8-17(16)20-11-14-5-3-9-24-14/h1-10,20H,11-13H2,(H,21,22)
InChIKeyZJHIKWOBDSMDHT-UHFFFAOYSA-N
XLogP2.96
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 4840922
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7150042) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is O=C(COC(=O)c1ccccc1NCc1ccco1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is ZJHIKWOBDSMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-18(21-12-15-6-4-10-25-15)13-26-19(23)16-7-1-2-8-17(16)20-11-14-5-3-9-24-14/h1-10,20H,11-13H2,(H,21,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7150042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).