N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C24H26N4O5 — CID 42927220

IUPACN-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1
InChIInChI=1S/C24H26N4O5/c1-3-32-16-9-10-21(33-4-2)19(12-16)26-22(29)14-28-23(30)20(27-24(28)31)11-15-13-25-18-8-6-5-7-17(15)18/h5-10,12-13,20,25H,3-4,11,14H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyMIHORAZSXZROSS-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.07
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 42927220) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID42927220
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1
InChIInChI=1S/C24H26N4O5/c1-3-32-16-9-10-21(33-4-2)19(12-16)26-22(29)14-28-23(30)20(27-24(28)31)11-15-13-25-18-8-6-5-7-17(15)18/h5-10,12-13,20,25H,3-4,11,14H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyMIHORAZSXZROSS-UHFFFAOYSA-N
XLogP3.07
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46594413
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3480729
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3933614
N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7640132
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2090352
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 906675

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 42927220) is N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCOc1ccc(OCC)c(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is MIHORAZSXZROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-3-32-16-9-10-21(33-4-2)19(12-16)26-22(29)14-28-23(30)20(27-24(28)31)11-15-13-25-18-8-6-5-7-17(15)18/h5-10,12-13,20,25H,3-4,11,14H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 42927220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).