N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide

C23H24N4O4 — CID 55484731

IUPACN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCc3ccccc3C2)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-6-2-1-3-7-16)11-13-27-20(29)23(26-22(27)31)12-10-17-8-4-5-9-18(17)14-23/h1-9H,10-15H2,(H,26,31)(H2,24,25,28,30)
InChIKeyRSHJALREKUCIMS-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.88
Rot. Bonds5

About N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide

N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide (PubChem CID 55484731) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
PubChem CID55484731
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCc3ccccc3C2)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-6-2-1-3-7-16)11-13-27-20(29)23(26-22(27)31)12-10-17-8-4-5-9-18(17)14-23/h1-9H,10-15H2,(H,26,31)(H2,24,25,28,30)
InChIKeyRSHJALREKUCIMS-UHFFFAOYSA-N
XLogP1.88
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.88
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

N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
CID 24674218
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 84601346
N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 18134850
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(3,3-diphenylpropyl)acetamide
CID 55304583
N-(benzylcarbamoyl)-3-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 24592825
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-prop-2-enylacetamide
CID 84601367
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
2-[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-naphthalen-1-ylacetamide
CID 2364607

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide (CID 55484731) is N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide is O=C(CCN1C(=O)NC2(CCc3ccccc3C2)C1=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide?
The InChIKey is RSHJALREKUCIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-6-2-1-3-7-16)11-13-27-20(29)23(26-22(27)31)12-10-17-8-4-5-9-18(17)14-23/h1-9H,10-15H2,(H,26,31)(H2,24,25,28,30).
What are the key properties of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide?
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide has a molecular weight of 420.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide is sourced from PubChem (CID 55484731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).