N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C18H22ClN3O3 — CID 9453956

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3/c19-14-5-3-13(4-6-14)7-11-20-15(23)8-12-22-16(24)18(21-17(22)25)9-1-2-10-18/h3-6H,1-2,7-12H2,(H,20,23)(H,21,25)
InChIKeyMOFLYXFXTVPYHJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 9453956) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID9453956
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3/c19-14-5-3-13(4-6-14)7-11-20-15(23)8-12-22-16(24)18(21-17(22)25)9-1-2-10-18/h3-6H,1-2,7-12H2,(H,20,23)(H,21,25)
InChIKeyMOFLYXFXTVPYHJ-UHFFFAOYSA-N
XLogP2.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.25
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-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55877167
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 177250750
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
N-[2-(4-chlorophenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703346

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 9453956) is N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is MOFLYXFXTVPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-14-5-3-13(4-6-14)7-11-20-15(23)8-12-22-16(24)18(21-17(22)25)9-1-2-10-18/h3-6H,1-2,7-12H2,(H,20,23)(H,21,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 363.85 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 9453956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).