N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H22ClN3O3 — CID 4797462

IUPACN-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H22ClN3O3/c1-11-6-7-13(19)9-14(11)20-15(23)10-22-16(24)18(21-17(22)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZIVJQGYZHAPTPY-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.09
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 4797462) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID4797462
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H22ClN3O3/c1-11-6-7-13(19)9-14(11)20-15(23)10-22-16(24)18(21-17(22)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZIVJQGYZHAPTPY-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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

N-(4-chloro-2-methylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703321
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479978
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(5-chloro-2-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181672
N-(5-chloro-2-ethylsulfonylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 97058728
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 56530742
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2462481
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4553627
N-(2-chloro-4-fluorophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703504
N-(2-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703501
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 4797462) is N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZIVJQGYZHAPTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11-6-7-13(19)9-14(11)20-15(23)10-22-16(24)18(21-17(22)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 4797462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).