ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate

C22H24N4O5 — CID 134972190

IUPACethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate
SMILESCCOC(=O)CC(CNC(=O)Nc1ccccc1)N1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-2-31-20(28)13-18(14-23-21(29)24-16-9-5-3-6-10-16)25-15-19(27)26(22(25)30)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H2,23,24,29)
InChIKeyJRCKNGQRBGZRCI-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.60
Rot. Bonds8

About ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate

ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate (PubChem CID 134972190) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate
PubChem CID134972190
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Nameethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate
SMILESCCOC(=O)CC(CNC(=O)Nc1ccccc1)N1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-2-31-20(28)13-18(14-23-21(29)24-16-9-5-3-6-10-16)25-15-19(27)26(22(25)30)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H2,23,24,29)
InChIKeyJRCKNGQRBGZRCI-UHFFFAOYSA-N
XLogP2.60
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate?
The IUPAC name of ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate (CID 134972190) is ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate?
The canonical SMILES for ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate is CCOC(=O)CC(CNC(=O)Nc1ccccc1)N1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate?
The InChIKey is JRCKNGQRBGZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-2-31-20(28)13-18(14-23-21(29)24-16-9-5-3-6-10-16)25-15-19(27)26(22(25)30)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H2,23,24,29).
What are the key properties of ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate?
ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate has a molecular weight of 424.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dioxo-3-phenylimidazolidin-1-yl)-4-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 134972190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).