(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate

C14H15N3O4 — CID 655712

IUPAC(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C14H15N3O4/c18-12(16-10-4-2-1-3-5-10)9-21-13(19)7-6-11-8-15-14(20)17-11/h1-5,8H,6-7,9H2,(H,16,18)(H2,15,17,20)
InChIKeyWNLCZMSNBRFHCX-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.82
Rot. Bonds6

About (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate

(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate (PubChem CID 655712) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
PubChem CID655712
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C14H15N3O4/c18-12(16-10-4-2-1-3-5-10)9-21-13(19)7-6-11-8-15-14(20)17-11/h1-5,8H,6-7,9H2,(H,16,18)(H2,15,17,20)
InChIKeyWNLCZMSNBRFHCX-UHFFFAOYSA-N
XLogP0.82
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate (CID 655712) is (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate is O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The InChIKey is WNLCZMSNBRFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12(16-10-4-2-1-3-5-10)9-21-13(19)7-6-11-8-15-14(20)17-11/h1-5,8H,6-7,9H2,(H,16,18)(H2,15,17,20).
What are the key properties of (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
(2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate has a molecular weight of 289.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate is sourced from PubChem (CID 655712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).