N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H22ClN3O3 — CID 2622461

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3/c1-11-8-12(2)15(13(19)9-11)20-14(23)10-22-16(24)18(21-17(22)25)6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyPOPSXTLKETZWFW-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.15
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2622461) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2622461
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3/c1-11-8-12(2)15(13(19)9-11)20-14(23)10-22-16(24)18(21-17(22)25)6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyPOPSXTLKETZWFW-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2622461) is N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is POPSXTLKETZWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11-8-12(2)15(13(19)9-11)20-14(23)10-22-16(24)18(21-17(22)25)6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2622461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).