N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide

C28H29N3O3 — CID 24820037

IUPACN-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C28H29N3O3/c1-21(2)30(19-23-14-8-4-9-15-23)25(32)20-31-26(33)28(29-27(31)34,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21H,18-20H2,1-2H3,(H,29,34)
InChIKeySJIBIURJYUXVIB-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.11
Rot. Bonds8

About N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide

N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 24820037) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide
PubChem CID24820037
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C28H29N3O3/c1-21(2)30(19-23-14-8-4-9-15-23)25(32)20-31-26(33)28(29-27(31)34,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21H,18-20H2,1-2H3,(H,29,34)
InChIKeySJIBIURJYUXVIB-UHFFFAOYSA-N
XLogP4.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenytoin
CID 1775
Ethotoin
CID 3292
Mephenytoin
CID 4060
Phenytoin Sodium
CID 657302
Fosphenytoin
CID 56339
Phenylhydantoin
CID 1002
Nirvanol
CID 91480
Fosphenytoin Sodium
CID 56338
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide (CID 24820037) is N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is SJIBIURJYUXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-21(2)30(19-23-14-8-4-9-15-23)25(32)20-31-26(33)28(29-27(31)34,24-16-10-5-11-17-24)18-22-12-6-3-7-13-22/h3-17,21H,18-20H2,1-2H3,(H,29,34).
What are the key properties of N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 455.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 24820037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).