2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide

C18H23ClN4O5 — CID 3236607

IUPAC2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(NC(=O)CC1NC(=O)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O5/c1-2-28-9-3-8-20-17(26)15(11-4-6-12(19)7-5-11)22-14(24)10-13-16(25)23-18(27)21-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,20,26)(H,22,24)(H2,21,23,25,27)
InChIKeyNPYAKLWHRVLVJA-UHFFFAOYSA-N
MW410.86 g/mol
LogP0.64
Rot. Bonds10

About 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide

2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide (PubChem CID 3236607) has the molecular formula C18H23ClN4O5 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide
PubChem CID3236607
Molecular FormulaC18H23ClN4O5
Molecular Weight410.86 g/mol
Exact Mass410.14
IUPAC Name2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(NC(=O)CC1NC(=O)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O5/c1-2-28-9-3-8-20-17(26)15(11-4-6-12(19)7-5-11)22-14(24)10-13-16(25)23-18(27)21-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,20,26)(H,22,24)(H2,21,23,25,27)
InChIKeyNPYAKLWHRVLVJA-UHFFFAOYSA-N
XLogP0.64
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide (CID 3236607) is 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)C(NC(=O)CC1NC(=O)NC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide?
The InChIKey is NPYAKLWHRVLVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O5/c1-2-28-9-3-8-20-17(26)15(11-4-6-12(19)7-5-11)22-14(24)10-13-16(25)23-18(27)21-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,20,26)(H,22,24)(H2,21,23,25,27).
What are the key properties of 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide?
2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide has a molecular weight of 410.86 g/mol, XLogP of 0.64, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 3236607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).