(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C21H30N2O3 — CID 97476318

IUPAC(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@@H](COC)C1=O
InChIInChI=1S/C21H30N2O3/c1-4-22-15-21(18(14-26-3)20(22)25)9-11-23(12-10-21)19(24)13-17-7-5-16(2)6-8-17/h5-8,18H,4,9-15H2,1-3H3/t18-/m0/s1
InChIKeyARGAWJVAENVIIC-SFHVURJKSA-N
MW358.48 g/mol
LogP2.27
Rot. Bonds5

About (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476318) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476318
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@@H](COC)C1=O
InChIInChI=1S/C21H30N2O3/c1-4-22-15-21(18(14-26-3)20(22)25)9-11-23(12-10-21)19(24)13-17-7-5-16(2)6-8-17/h5-8,18H,4,9-15H2,1-3H3/t18-/m0/s1
InChIKeyARGAWJVAENVIIC-SFHVURJKSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
2-ethyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 155830778
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476363
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97473987
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107029300
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 91922207
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97476318) is (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@@H](COC)C1=O.
What is the InChIKey of (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ARGAWJVAENVIIC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-4-22-15-21(18(14-26-3)20(22)25)9-11-23(12-10-21)19(24)13-17-7-5-16(2)6-8-17/h5-8,18H,4,9-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).