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

C22H29N3O4 — CID 7886306

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O
InChIInChI=1S/C22H29N3O4/c1-16-9-11-22(12-10-16)20(27)25(21(28)23-22)15-19(26)24(14-18-8-5-13-29-18)17-6-3-2-4-7-17/h5-6,8,13,16H,2-4,7,9-12,14-15H2,1H3,(H,23,28)
InChIKeyPSXGNGYYHPGFGU-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.57
Rot. Bonds5

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

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7886306) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7886306
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O
InChIInChI=1S/C22H29N3O4/c1-16-9-11-22(12-10-16)20(27)25(21(28)23-22)15-19(26)24(14-18-8-5-13-29-18)17-6-3-2-4-7-17/h5-6,8,13,16H,2-4,7,9-12,14-15H2,1H3,(H,23,28)
InChIKeyPSXGNGYYHPGFGU-UHFFFAOYSA-N
XLogP3.57
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 45356197
N-(furan-2-ylmethyl)-N-phenyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55443414
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 43027899
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 34430725
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7488794
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 2555447
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7488731
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 7875695
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 17419101

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7886306) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccco1)C1=CCCCC1)C2=O.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PSXGNGYYHPGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16-9-11-22(12-10-16)20(27)25(21(28)23-22)15-19(26)24(14-18-8-5-13-29-18)17-6-3-2-4-7-17/h5-6,8,13,16H,2-4,7,9-12,14-15H2,1H3,(H,23,28).
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7886306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).