N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C19H24ClN3O3 — CID 2083685

IUPACN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26)
InChIKeyDLDGGJQMAPGNSW-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.99
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2083685) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2083685
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26)
InChIKeyDLDGGJQMAPGNSW-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.99
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

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5-(4-Chlorophenyl)-5-methylimidazolidine-2,4-dione
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5-(3-Chlorophenyl)-5-methylimidazolidine-2,4-dione
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CID 3236607
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2102967
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
N-[(4-chlorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2412458
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2437068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2083685) is N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is DLDGGJQMAPGNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 2.99, 4 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-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2083685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).