N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H23N3O5 — CID 2578376

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O
InChIInChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)10-16(23)20-9-13-2-3-14-15(8-13)27-11-26-14/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyWWUGEBKGQPNXAG-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.53
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2578376) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2578376
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O
InChIInChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)10-16(23)20-9-13-2-3-14-15(8-13)27-11-26-14/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyWWUGEBKGQPNXAG-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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

5-Methyl-5-piperonylhydantoin
CID 2997893
Cur-61414
CID 10392802
N-[(2S)-1-[[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxospiro[7,8-dihydro-6H-[1,2,4]triazolo[1,2-a]pyridazine-5,4'-piperidine]-8-carboxamide
CID 10010118
N-[(2S)-1-[[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxospiro[8H-[1,2,4]triazolo[1,2-a]pyridazine-5,4'-piperidine]-8-carboxamide
CID 11181688
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)propanamide
CID 1529576
N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
CID 673798
N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
CID 683219
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622634
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxoprolinamide
CID 3680143
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 4010093
Agn-PC-0kcayg
CID 4244779
N-(1,3-benzodioxol-5-ylmethyl)-2-(4,4,6-trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetamide
CID 5179797

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2578376) is N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is WWUGEBKGQPNXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)10-16(23)20-9-13-2-3-14-15(8-13)27-11-26-14/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2578376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).