propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate

C15H19N3O4 — CID 24615008

IUPACpropyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-9-22-14(20)11-3-5-12(6-4-11)17-10-13(19)18-8-7-16-15(18)21/h3-6,17H,2,7-10H2,1H3,(H,16,21)
InChIKeyMQXOFANKTLJIIP-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.22
Rot. Bonds6

About propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate

propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate (PubChem CID 24615008) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
PubChem CID24615008
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namepropyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-9-22-14(20)11-3-5-12(6-4-11)17-10-13(19)18-8-7-16-15(18)21/h3-6,17H,2,7-10H2,1H3,(H,16,21)
InChIKeyMQXOFANKTLJIIP-UHFFFAOYSA-N
XLogP1.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate with MolForge

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Related Compounds

propyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]benzoate
CID 54812870
N-methyl-2-[4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]phenyl]acetamide
CID 37231270
propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate
CID 54812724
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
1-butanoylimidazolidin-2-one
CID 12771230
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
CID 155945598
propyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81414678
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate (CID 24615008) is propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate is CCCOC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The InChIKey is MQXOFANKTLJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-9-22-14(20)11-3-5-12(6-4-11)17-10-13(19)18-8-7-16-15(18)21/h3-6,17H,2,7-10H2,1H3,(H,16,21).
What are the key properties of propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate is sourced from PubChem (CID 24615008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).