N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C24H22N4O5 — CID 92534606

IUPACN'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)oc2ccccc12
InChIInChI=1S/C24H22N4O5/c1-14-16-9-3-5-11-18(16)33-20(14)21(30)27-26-19(29)13-28-22(31)24(25-23(28)32)12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,25,32)(H,26,29)(H,27,30)/t24-/m1/s1
InChIKeyFLQJTZODJZISRC-XMMPIXPASA-N
MW446.46 g/mol
LogP2.29
Rot. Bonds3

About N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 92534606) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID92534606
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)oc2ccccc12
InChIInChI=1S/C24H22N4O5/c1-14-16-9-3-5-11-18(16)33-20(14)21(30)27-26-19(29)13-28-22(31)24(25-23(28)32)12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,25,32)(H,26,29)(H,27,30)/t24-/m1/s1
InChIKeyFLQJTZODJZISRC-XMMPIXPASA-N
XLogP2.29
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41324950
3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 46652794
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2121448
(4R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40855150
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
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-(furan-2-ylmethyl)acetamide
CID 2505076
2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide
CID 24547274
3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17473546

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 92534606) is N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)oc2ccccc12.
What is the InChIKey of N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is FLQJTZODJZISRC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-16-9-3-5-11-18(16)33-20(14)21(30)27-26-19(29)13-28-22(31)24(25-23(28)32)12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,25,32)(H,26,29)(H,27,30)/t24-/m1/s1.
What are the key properties of N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 446.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 92534606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).