3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide

C21H24N4O5 — CID 46652794

IUPAC3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)oc2ccccc12
InChIInChI=1S/C21H24N4O5/c1-12-7-5-6-10-21(12)19(28)25(20(29)22-21)11-16(26)23-24-18(27)17-13(2)14-8-3-4-9-15(14)30-17/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,29)(H,23,26)(H,24,27)
InChIKeyLTCVKGXKRNMESE-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.00
Rot. Bonds3

About 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 46652794) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID46652794
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)oc2ccccc12
InChIInChI=1S/C21H24N4O5/c1-12-7-5-6-10-21(12)19(28)25(20(29)22-21)11-16(26)23-24-18(27)17-13(2)14-8-3-4-9-15(14)30-17/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,29)(H,23,26)(H,24,27)
InChIKeyLTCVKGXKRNMESE-UHFFFAOYSA-N
XLogP2.00
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.00
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

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
4-bromo-N'-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]benzohydrazide
CID 2538583
N-(1-benzofuran-2-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86994486
N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55506822
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
N-[(2-chlorophenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2530641
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31297546
(5R,6S)-6-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41131173
(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41410569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide (CID 46652794) is 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is LTCVKGXKRNMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-12-7-5-6-10-21(12)19(28)25(20(29)22-21)11-16(26)23-24-18(27)17-13(2)14-8-3-4-9-15(14)30-17/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,29)(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 412.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 46652794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).