2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

C22H25ClN4O3 — CID 119439952

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-2-23-13-16-8-4-6-10-18(16)24-19(27)14-26-20(28)22(25-21(26)29)12-11-15-7-3-5-9-17(15)22;/h3-10,23H,2,11-14H2,1H3,(H,24,27)(H,25,29);1H
InChIKeyJHWGEGMODOMRNG-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.55
Rot. Bonds6

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119439952) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119439952
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-2-23-13-16-8-4-6-10-18(16)24-19(27)14-26-20(28)22(25-21(26)29)12-11-15-7-3-5-9-17(15)22;/h3-10,23H,2,11-14H2,1H3,(H,24,27)(H,25,29);1H
InChIKeyJHWGEGMODOMRNG-UHFFFAOYSA-N
XLogP2.55
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.55
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-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702812
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40857362
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 2680854
2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55363794
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240543
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 41144879
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (CID 119439952) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.Cl.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is JHWGEGMODOMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.ClH/c1-2-23-13-16-8-4-6-10-18(16)24-19(27)14-26-20(28)22(25-21(26)29)12-11-15-7-3-5-9-17(15)22;/h3-10,23H,2,11-14H2,1H3,(H,24,27)(H,25,29);1H.
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119439952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).