3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C18H29N3O3 — CID 41291477

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-13-7-3-4-8-14(13)19-15(22)9-12-21-16(23)18(20-17(21)24)10-5-2-6-11-18/h13-14H,2-12H2,1H3,(H,19,22)(H,20,24)/t13-,14+/m0/s1
InChIKeyNMJBRUJXWLFRGH-UONOGXRCSA-N
MW335.45 g/mol
LogP2.33
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 41291477) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID41291477
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-13-7-3-4-8-14(13)19-15(22)9-12-21-16(23)18(20-17(21)24)10-5-2-6-11-18/h13-14H,2-12H2,1H3,(H,19,22)(H,20,24)/t13-,14+/m0/s1
InChIKeyNMJBRUJXWLFRGH-UONOGXRCSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.33
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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 100624051
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
ethyl 4-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31844794
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 41291477) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is C[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is NMJBRUJXWLFRGH-UONOGXRCSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-7-3-4-8-14(13)19-15(22)9-12-21-16(23)18(20-17(21)24)10-5-2-6-11-18/h13-14H,2-12H2,1H3,(H,19,22)(H,20,24)/t13-,14+/m0/s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 41291477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).