[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate

C17H17N3O5 — CID 7149855

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C17H17N3O5/c21-15(20-8-7-18-17(20)23)11-25-16(22)13-5-1-2-6-14(13)19-10-12-4-3-9-24-12/h1-6,9,19H,7-8,10-11H2,(H,18,23)
InChIKeyNNROHUYZBGXRNY-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.60
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7149855) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7149855
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C17H17N3O5/c21-15(20-8-7-18-17(20)23)11-25-16(22)13-5-1-2-6-14(13)19-10-12-4-3-9-24-12/h1-6,9,19H,7-8,10-11H2,(H,18,23)
InChIKeyNNROHUYZBGXRNY-UHFFFAOYSA-N
XLogP1.60
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(methanesulfonamido)benzoate
CID 7740423
1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505352
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075616
(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
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 50937701
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 42985385
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7149855) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate is O=C(OCC(=O)N1CCNC1=O)c1ccccc1NCc1ccco1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is NNROHUYZBGXRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-15(20-8-7-18-17(20)23)11-25-16(22)13-5-1-2-6-14(13)19-10-12-4-3-9-24-12/h1-6,9,19H,7-8,10-11H2,(H,18,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 343.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7149855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).