(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H26N2O4 — CID 97383988

IUPAC(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H26N2O4/c1-27-15-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-14-28-19/h2-8,14,18H,9-13,15-16H2,1H3/t18-/m0/s1
InChIKeyVIHCCJILYSGSAT-SFHVURJKSA-N
MW382.46 g/mol
LogP2.92
Rot. Bonds5

About (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97383988) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97383988
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H26N2O4/c1-27-15-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-14-28-19/h2-8,14,18H,9-13,15-16H2,1H3/t18-/m0/s1
InChIKeyVIHCCJILYSGSAT-SFHVURJKSA-N
XLogP2.92
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383991
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383983
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97383988) is (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VIHCCJILYSGSAT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-15-13-24-20(25)18(17-6-3-2-4-7-17)16-22(24)9-11-23(12-10-22)21(26)19-8-5-14-28-19/h2-8,14,18H,9-13,15-16H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 382.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97383988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).