(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C21H23N3O4 — CID 97373416

IUPAC(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccoc1C)C2
InChIInChI=1S/C21H23N3O4/c1-15-18(8-11-28-15)20(27)22-10-9-21(13-22)14-23(17-6-4-3-5-7-17)19(26)12-24(21)16(2)25/h3-8,11H,9-10,12-14H2,1-2H3/t21-/m0/s1
InChIKeyNJOMVKUKFSLLTN-NRFANRHFSA-N
MW381.43 g/mol
LogP2.07
Rot. Bonds2

About (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373416) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373416
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccoc1C)C2
InChIInChI=1S/C21H23N3O4/c1-15-18(8-11-28-15)20(27)22-10-9-21(13-22)14-23(17-6-4-3-5-7-17)19(26)12-24(21)16(2)25/h3-8,11H,9-10,12-14H2,1-2H3/t21-/m0/s1
InChIKeyNJOMVKUKFSLLTN-NRFANRHFSA-N
XLogP2.07
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one with MolForge

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Related Compounds

(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373414
(5S)-6-acetyl-9-phenyl-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373429
(5R)-6-acetyl-2-(2-methoxyacetyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373436
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131648514
6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743295
(5R)-6-acetyl-2-[(5-methylthiophen-2-yl)methyl]-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373405
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
6-acetyl-2-(5-fluoropyrimidin-2-yl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131656473
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
(5S)-6-acetyl-2-(3-chlorobenzoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373743

Frequently Asked Questions

What is the IUPAC name of (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373416) is (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccoc1C)C2.
What is the InChIKey of (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is NJOMVKUKFSLLTN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-18(8-11-28-15)20(27)22-10-9-21(13-22)14-23(17-6-4-3-5-7-17)19(26)12-24(21)16(2)25/h3-8,11H,9-10,12-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 381.43 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).