N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide

C22H24N4O4 — CID 118985887

IUPACN-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCC2NC(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C22H24N4O4/c1-15(27)23-17-8-5-9-18(14-17)24-20(28)11-10-19-21(29)26(22(30)25-19)13-12-16-6-3-2-4-7-16/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyDVJXGZNYBGHFHR-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.53
Rot. Bonds8

About N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide

N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide (PubChem CID 118985887) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
PubChem CID118985887
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCC2NC(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C22H24N4O4/c1-15(27)23-17-8-5-9-18(14-17)24-20(28)11-10-19-21(29)26(22(30)25-19)13-12-16-6-3-2-4-7-16/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyDVJXGZNYBGHFHR-UHFFFAOYSA-N
XLogP2.53
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 124862824
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638918
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
methyl 2-[3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91639204
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91822742

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide (CID 118985887) is N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCC2NC(=O)N(CCc3ccccc3)C2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide?
The InChIKey is DVJXGZNYBGHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15(27)23-17-8-5-9-18(14-17)24-20(28)11-10-19-21(29)26(22(30)25-19)13-12-16-6-3-2-4-7-16/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,30).
What are the key properties of N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide?
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide has a molecular weight of 408.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide is sourced from PubChem (CID 118985887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).