benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C18H24N2O4 — CID 7617485

IUPACbenzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-10-18(11-4-2)16(22)20(17(23)19-18)12-15(21)24-13-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,19,23)
InChIKeyPCYFWNUTUOCOKG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.62
Rot. Bonds8

About benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 7617485) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID7617485
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namebenzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-10-18(11-4-2)16(22)20(17(23)19-18)12-15(21)24-13-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,19,23)
InChIKeyPCYFWNUTUOCOKG-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate 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

phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
[4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxymethyl]phenyl]methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42967491
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617393
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617394
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691141
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
CID 9476496
[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55445207

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 7617485) is benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is PCYFWNUTUOCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-10-18(11-4-2)16(22)20(17(23)19-18)12-15(21)24-13-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,19,23).
What are the key properties of benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 332.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 7617485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).