N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H24ClN3O3 — CID 2425457

IUPACN-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C19H24ClN3O3/c1-2-13-7-9-19(10-8-13)17(25)23(18(26)22-19)12-16(24)21-11-14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyLQPSMDWNOAADDO-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.85
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2425457) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2425457
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C19H24ClN3O3/c1-2-13-7-9-19(10-8-13)17(25)23(18(26)22-19)12-16(24)21-11-14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyLQPSMDWNOAADDO-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
N-(2,6-dimethylphenyl)-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55304263
N-[2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55869488
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 55968177

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2425457) is N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LQPSMDWNOAADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-2-13-7-9-19(10-8-13)17(25)23(18(26)22-19)12-16(24)21-11-14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2425457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).