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

C23H24N4O4 — CID 24674218

IUPACN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCc3ccccc32)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-7-2-1-3-8-16)12-14-27-20(29)23(26-22(27)31)13-6-10-17-9-4-5-11-18(17)23/h1-5,7-9,11H,6,10,12-15H2,(H,26,31)(H2,24,25,28,30)
InChIKeyRQOYNANVMOYOJT-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.19
Rot. Bonds5

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

N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide (PubChem CID 24674218) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
PubChem CID24674218
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCc3ccccc32)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-7-2-1-3-8-16)12-14-27-20(29)23(26-22(27)31)13-6-10-17-9-4-5-11-18(17)23/h1-5,7-9,11H,6,10,12-15H2,(H,26,31)(H2,24,25,28,30)
InChIKeyRQOYNANVMOYOJT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2659902
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
CID 55484731
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
CID 2633587
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2706117
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-phenylpropyl)acetamide
CID 4810193
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-(2-phenylethyl)acetamide
CID 18074180
N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 18134850
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide (CID 24674218) is N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide is O=C(CCN1C(=O)NC2(CCCc3ccccc32)C1=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
The InChIKey is RQOYNANVMOYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-19(25-21(30)24-15-16-7-2-1-3-8-16)12-14-27-20(29)23(26-22(27)31)13-6-10-17-9-4-5-11-18(17)23/h1-5,7-9,11H,6,10,12-15H2,(H,26,31)(H2,24,25,28,30).
What are the key properties of N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide?
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.19, 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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide is sourced from PubChem (CID 24674218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).