2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide

C20H26N6O4 — CID 170780964

IUPAC2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)NC2(CCN(C/N=C\C=C/N)CC2)C1=O
InChIInChI=1S/C20H26N6O4/c1-30-16-6-3-2-5-15(16)23-17(27)13-26-18(28)20(24-19(26)29)7-11-25(12-8-20)14-22-10-4-9-21/h2-6,9-10H,7-8,11-14,21H2,1H3,(H,23,27)(H,24,29)/b9-4-,22-10-
InChIKeyGECWRJIZFBVSRP-MQMFASJASA-N
MW414.47 g/mol
LogP0.52
Rot. Bonds7

About 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide

2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 170780964) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID170780964
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)NC2(CCN(C/N=C\C=C/N)CC2)C1=O
InChIInChI=1S/C20H26N6O4/c1-30-16-6-3-2-5-15(16)23-17(27)13-26-18(28)20(24-19(26)29)7-11-25(12-8-20)14-22-10-4-9-21/h2-6,9-10H,7-8,11-14,21H2,1H3,(H,23,27)(H,24,29)/b9-4-,22-10-
InChIKeyGECWRJIZFBVSRP-MQMFASJASA-N
XLogP0.52
TPSA129.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 16801740
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
N-[2-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622460
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2435702
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91891702

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide (CID 170780964) is 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)NC2(CCN(C/N=C\C=C/N)CC2)C1=O.
What is the InChIKey of 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GECWRJIZFBVSRP-MQMFASJASA-N. The full InChI is InChI=1S/C20H26N6O4/c1-30-16-6-3-2-5-15(16)23-17(27)13-26-18(28)20(24-19(26)29)7-11-25(12-8-20)14-22-10-4-9-21/h2-6,9-10H,7-8,11-14,21H2,1H3,(H,23,27)(H,24,29)/b9-4-,22-10-.
What are the key properties of 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 170780964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).