methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate

C24H28N4O4 — CID 152747057

IUPACmethyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate
SMILES[H]/N=C(\NC(=O)C(C)C)c1ccc(N2CCN(c3ccc(CCC(=O)OC)cc3)C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-16(2)23(30)26-22(25)18-7-11-20(12-8-18)28-15-14-27(24(28)31)19-9-4-17(5-10-19)6-13-21(29)32-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,26,30)
InChIKeyFZWLRIGVADSRAH-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.34
Rot. Bonds7

About methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate

methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate (PubChem CID 152747057) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate
PubChem CID152747057
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate
SMILES[H]/N=C(\NC(=O)C(C)C)c1ccc(N2CCN(c3ccc(CCC(=O)OC)cc3)C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-16(2)23(30)26-22(25)18-7-11-20(12-8-18)28-15-14-27(24(28)31)19-9-4-17(5-10-19)6-13-21(29)32-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,26,30)
InChIKeyFZWLRIGVADSRAH-UHFFFAOYSA-N
XLogP3.34
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate (CID 152747057) is methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate is [H]/N=C(\NC(=O)C(C)C)c1ccc(N2CCN(c3ccc(CCC(=O)OC)cc3)C2=O)cc1.
What is the InChIKey of methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate?
The InChIKey is FZWLRIGVADSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16(2)23(30)26-22(25)18-7-11-20(12-8-18)28-15-14-27(24(28)31)19-9-4-17(5-10-19)6-13-21(29)32-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,26,30).
What are the key properties of methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate?
methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate has a molecular weight of 436.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[3-[4-[N-(2-methylpropanoyl)carbamimidoyl]phenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoate is sourced from PubChem (CID 152747057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).