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

C22H25N3O6 — CID 75531974

IUPAC2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O6/c1-29-17-11-15(12-18(30-2)20(17)31-3)23-19(26)13-16-21(27)25(22(28)24-16)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyUKZIPXMKFCCSCC-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.20
Rot. Bonds9

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

2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 75531974) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID75531974
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O6/c1-29-17-11-15(12-18(30-2)20(17)31-3)23-19(26)13-16-21(27)25(22(28)24-16)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyUKZIPXMKFCCSCC-UHFFFAOYSA-N
XLogP2.20
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
propan-2-yl 4-[[2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 75357012
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 71825448
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 75531974) is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UKZIPXMKFCCSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-29-17-11-15(12-18(30-2)20(17)31-3)23-19(26)13-16-21(27)25(22(28)24-16)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 75531974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).