8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C20H26N2O3 — CID 72847937

IUPAC8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)C3CCc4ccccc4O3)CC2)CC1=O
InChIInChI=1S/C20H26N2O3/c1-2-21-14-20(13-18(21)23)9-11-22(12-10-20)19(24)17-8-7-15-5-3-4-6-16(15)25-17/h3-6,17H,2,7-14H2,1H3
InChIKeyDSJXVUGMDKPDIX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.24
Rot. Bonds2

About 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72847937) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72847937
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)C3CCc4ccccc4O3)CC2)CC1=O
InChIInChI=1S/C20H26N2O3/c1-2-21-14-20(13-18(21)23)9-11-22(12-10-20)19(24)17-8-7-15-5-3-4-6-16(15)25-17/h3-6,17H,2,7-14H2,1H3
InChIKeyDSJXVUGMDKPDIX-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 95885398
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
N-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-1-ethoxycyclobutane-1-carboxamide
CID 167785164
2-benzyl-8-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277141
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 72847937) is 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)C3CCc4ccccc4O3)CC2)CC1=O.
What is the InChIKey of 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DSJXVUGMDKPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-21-14-20(13-18(21)23)9-11-22(12-10-20)19(24)17-8-7-15-5-3-4-6-16(15)25-17/h3-6,17H,2,7-14H2,1H3.
What are the key properties of 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 342.44 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72847937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).