methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate

C16H22N2O5 — CID 35845670

IUPACmethyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate
SMILESCCCC1(CCC)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O
InChIInChI=1S/C16H22N2O5/c1-4-8-16(9-5-2)14(20)18(15(21)17-16)10-11-6-7-12(23-11)13(19)22-3/h6-7H,4-5,8-10H2,1-3H3,(H,17,21)
InChIKeyLGLYSOSQDXSPGM-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.46
Rot. Bonds7

About methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate

methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate (PubChem CID 35845670) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate
PubChem CID35845670
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate
SMILESCCCC1(CCC)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O
InChIInChI=1S/C16H22N2O5/c1-4-8-16(9-5-2)14(20)18(15(21)17-16)10-11-6-7-12(23-11)13(19)22-3/h6-7H,4-5,8-10H2,1-3H3,(H,17,21)
InChIKeyLGLYSOSQDXSPGM-UHFFFAOYSA-N
XLogP2.46
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
CID 17468500
methyl 5-[[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512391
methyl 5-[[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512388
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[[(4Z)-4-[(1-ethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6160275
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
methyl 5-[[4-[(5-bromo-2,4-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3720265
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(4Z)-4-[(2-methoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6278722
methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
CID 38828344
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate (CID 35845670) is methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate is CCCC1(CCC)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O.
What is the InChIKey of methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is LGLYSOSQDXSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-8-16(9-5-2)14(20)18(15(21)17-16)10-11-6-7-12(23-11)13(19)22-3/h6-7H,4-5,8-10H2,1-3H3,(H,17,21).
What are the key properties of methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 35845670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).