N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C24H25FN4O4 — CID 75356728

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1CCN1C(=O)NC(CC(=O)NCCc2c[nH]c3ccc(F)cc23)C1=O
InChIInChI=1S/C24H25FN4O4/c1-33-21-5-3-2-4-15(21)9-11-29-23(31)20(28-24(29)32)13-22(30)26-10-8-16-14-27-19-7-6-17(25)12-18(16)19/h2-7,12,14,20,27H,8-11,13H2,1H3,(H,26,30)(H,28,32)
InChIKeyRLYUIUPKTHSAEY-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 75356728) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID75356728
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1CCN1C(=O)NC(CC(=O)NCCc2c[nH]c3ccc(F)cc23)C1=O
InChIInChI=1S/C24H25FN4O4/c1-33-21-5-3-2-4-15(21)9-11-29-23(31)20(28-24(29)32)13-22(30)26-10-8-16-14-27-19-7-6-17(25)12-18(16)19/h2-7,12,14,20,27H,8-11,13H2,1H3,(H,26,30)(H,28,32)
InChIKeyRLYUIUPKTHSAEY-UHFFFAOYSA-N
XLogP2.53
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
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

2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 122169381
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 91638372
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 75356728) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccccc1CCN1C(=O)NC(CC(=O)NCCc2c[nH]c3ccc(F)cc23)C1=O.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is RLYUIUPKTHSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-33-21-5-3-2-4-15(21)9-11-29-23(31)20(28-24(29)32)13-22(30)26-10-8-16-14-27-19-7-6-17(25)12-18(16)19/h2-7,12,14,20,27H,8-11,13H2,1H3,(H,26,30)(H,28,32).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 75356728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).