3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C18H22ClN3O3 — CID 24585914

IUPAC3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1ccc(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-12-5-6-13(11-14(12)19)7-8-15(23)21-22-16(24)18(20-17(22)25)9-3-2-4-10-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyORSHGFRXNHRVDM-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 24585914) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID24585914
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1ccc(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-12-5-6-13(11-14(12)19)7-8-15(23)21-22-16(24)18(20-17(22)25)9-3-2-4-10-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyORSHGFRXNHRVDM-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.87
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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-pyridin-3-ylpropanamide
CID 27533114
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55504513
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579141
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918362
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 61289546
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 24585914) is 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is Cc1ccc(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is ORSHGFRXNHRVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12-5-6-13(11-14(12)19)7-8-15(23)21-22-16(24)18(20-17(22)25)9-3-2-4-10-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 363.85 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 24585914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).