1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone

C16H21NO4 — CID 17250136

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21NO4/c1-2-19-14-6-4-3-5-13(14)15(18)17-9-7-16(8-10-17)20-11-12-21-16/h3-6H,2,7-12H2,1H3
InChIKeyULCCHNHFHLKGJS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.06
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone (PubChem CID 17250136) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
PubChem CID17250136
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21NO4/c1-2-19-14-6-4-3-5-13(14)15(18)17-9-7-16(8-10-17)20-11-12-21-16/h3-6H,2,7-12H2,1H3
InChIKeyULCCHNHFHLKGJS-UHFFFAOYSA-N
XLogP2.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone
CID 43057730
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 42665678
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 51109876
N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
CID 131906371
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
2-[2-(4-ethyl-4-hydroxypiperidine-1-carbonyl)phenoxy]acetamide
CID 119138250
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 72877584

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone (CID 17250136) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone?
The InChIKey is ULCCHNHFHLKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-19-14-6-4-3-5-13(14)15(18)17-9-7-16(8-10-17)20-11-12-21-16/h3-6H,2,7-12H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 17250136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).