N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C16H21FN4O3 — CID 124864224

IUPACN-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN4O3/c1-20(2)7-6-18-14(22)9-13-15(23)21(16(24)19-13)10-11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,24)/t13-/m1/s1
InChIKeyXCOQPPDAVZXKHQ-CYBMUJFWSA-N
MW336.37 g/mol
LogP0.31
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124864224) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID124864224
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN4O3/c1-20(2)7-6-18-14(22)9-13-15(23)21(16(24)19-13)10-11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,24)/t13-/m1/s1
InChIKeyXCOQPPDAVZXKHQ-CYBMUJFWSA-N
XLogP0.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356959
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 39349369
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91638917
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91822758
methyl 2-[[2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91640453
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 110209655
ethyl 4-[3-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazine-1-carboxylate
CID 91821646

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124864224) is N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CN(C)CCNC(=O)C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is XCOQPPDAVZXKHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-20(2)7-6-18-14(22)9-13-15(23)21(16(24)19-13)10-11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,24)/t13-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124864224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).