N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide

C21H23N3O3 — CID 4804495

IUPACN-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O3/c1-3-21(17-12-8-5-9-13-17)19(26)24(20(27)22-21)15-18(25)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,22,27)
InChIKeyVTLPRQSLUBOVPE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.50
Rot. Bonds6

About N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide

N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide (PubChem CID 4804495) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
PubChem CID4804495
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O3/c1-3-21(17-12-8-5-9-13-17)19(26)24(20(27)22-21)15-18(25)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,22,27)
InChIKeyVTLPRQSLUBOVPE-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide (CID 4804495) is N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is VTLPRQSLUBOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-21(17-12-8-5-9-13-17)19(26)24(20(27)22-21)15-18(25)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,22,27).
What are the key properties of N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 365.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 4804495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).