4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide

C22H25N3O4 — CID 9293826

IUPAC4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-3-5-15-29-18-13-11-16(12-14-18)19(26)24-25-20(27)22(4-2,23-21(25)28)17-9-7-6-8-10-17/h6-14H,3-5,15H2,1-2H3,(H,23,28)(H,24,26)/t22-/m0/s1
InChIKeySJMLZBVWRSNGJG-QFIPXVFZSA-N
MW395.46 g/mol
LogP3.37
Rot. Bonds8

About 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide

4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide (PubChem CID 9293826) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
PubChem CID9293826
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H25N3O4/c1-3-5-15-29-18-13-11-16(12-14-18)19(26)24-25-20(27)22(4-2,23-21(25)28)17-9-7-6-8-10-17/h6-14H,3-5,15H2,1-2H3,(H,23,28)(H,24,26)/t22-/m0/s1
InChIKeySJMLZBVWRSNGJG-QFIPXVFZSA-N
XLogP3.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
CID 9294715
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
CID 7603366
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55343004
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 41023589
2-(3-cyanophenoxy)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9334906
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290711
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The IUPAC name of 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide (CID 9293826) is 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide is CCCCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The InChIKey is SJMLZBVWRSNGJG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-5-15-29-18-13-11-16(12-14-18)19(26)24-25-20(27)22(4-2,23-21(25)28)17-9-7-6-8-10-17/h6-14H,3-5,15H2,1-2H3,(H,23,28)(H,24,26)/t22-/m0/s1.
What are the key properties of 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide is sourced from PubChem (CID 9293826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).