N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

C19H25ClN4O5 — CID 119618318

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc3c(cc1N)OCO3)C2=O.Cl
InChIInChI=1S/C19H24N4O5.ClH/c1-2-11-3-5-19(6-4-11)17(25)23(18(26)22-19)9-16(24)21-13-8-15-14(7-12(13)20)27-10-28-15;/h7-8,11H,2-6,9-10,20H2,1H3,(H,21,24)(H,22,26);1H
InChIKeyPXFPDLSNZZFEJV-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.25
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 119618318) has the molecular formula C19H25ClN4O5 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID119618318
Molecular FormulaC19H25ClN4O5
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc3c(cc1N)OCO3)C2=O.Cl
InChIInChI=1S/C19H24N4O5.ClH/c1-2-11-3-5-19(6-4-11)17(25)23(18(26)22-19)9-16(24)21-13-8-15-14(7-12(13)20)27-10-28-15;/h7-8,11H,2-6,9-10,20H2,1H3,(H,21,24)(H,22,26);1H
InChIKeyPXFPDLSNZZFEJV-UHFFFAOYSA-N
XLogP2.25
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7240816
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55612985
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119515473
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
CID 51594980
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
N-(1,3-benzodioxol-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2709593

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 119618318) is N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc3c(cc1N)OCO3)C2=O.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The InChIKey is PXFPDLSNZZFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5.ClH/c1-2-11-3-5-19(6-4-11)17(25)23(18(26)22-19)9-16(24)21-13-8-15-14(7-12(13)20)27-10-28-15;/h7-8,11H,2-6,9-10,20H2,1H3,(H,21,24)(H,22,26);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 424.89 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119618318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).