N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H23N3O5 — CID 7610694

IUPACN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O5/c1-12(13-5-6-14-15(9-13)27-11-26-14)20-16(23)10-22-17(24)19(21-18(22)25)7-3-2-4-8-19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,25)/t12-/m1/s1
InChIKeyGKEDXVYRAMTCRL-GFCCVEGCSA-N
MW373.41 g/mol
LogP1.85
Rot. Bonds4

About N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7610694) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7610694
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O5/c1-12(13-5-6-14-15(9-13)27-11-26-14)20-16(23)10-22-17(24)19(21-18(22)25)7-3-2-4-8-19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,25)/t12-/m1/s1
InChIKeyGKEDXVYRAMTCRL-GFCCVEGCSA-N
XLogP1.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 9402120
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 40919596
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 4790489
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987511
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987501
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987505
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 92786972

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7610694) is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is GKEDXVYRAMTCRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12(13-5-6-14-15(9-13)27-11-26-14)20-16(23)10-22-17(24)19(21-18(22)25)7-3-2-4-8-19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).