[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate

C15H17N3O4 — CID 753474

IUPAC[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-2-4-11(5-3-10)17-13(19)9-22-14(20)7-6-12-8-16-15(21)18-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyNJJZAYDQUWIFRJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.13
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate

[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate (PubChem CID 753474) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
PubChem CID753474
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-2-4-11(5-3-10)17-13(19)9-22-14(20)7-6-12-8-16-15(21)18-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyNJJZAYDQUWIFRJ-UHFFFAOYSA-N
XLogP1.13
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate (CID 753474) is [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate is Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
The InChIKey is NJJZAYDQUWIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-2-4-11(5-3-10)17-13(19)9-22-14(20)7-6-12-8-16-15(21)18-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate?
[2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate has a molecular weight of 303.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoate is sourced from PubChem (CID 753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).