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

C23H27N3O5 — CID 4877761

IUPACN-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)cc1OCC
InChIInChI=1S/C23H27N3O5/c1-3-30-19-13-11-17(14-20(19)31-4-2)24-21(27)15-26-22(28)18(25-23(26)29)12-10-16-8-6-5-7-9-16/h5-9,11,13-14,18H,3-4,10,12,15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyOLOQRFUCCWGTCH-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.98
Rot. Bonds10

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

N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 4877761) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID4877761
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)cc1OCC
InChIInChI=1S/C23H27N3O5/c1-3-30-19-13-11-17(14-20(19)31-4-2)24-21(27)15-26-22(28)18(25-23(26)29)12-10-16-8-6-5-7-9-16/h5-9,11,13-14,18H,3-4,10,12,15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyOLOQRFUCCWGTCH-UHFFFAOYSA-N
XLogP2.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2602148
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41273751
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2436780
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703899

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 4877761) is N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is OLOQRFUCCWGTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-3-30-19-13-11-17(14-20(19)31-4-2)24-21(27)15-26-22(28)18(25-23(26)29)12-10-16-8-6-5-7-9-16/h5-9,11,13-14,18H,3-4,10,12,15H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 4877761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).