1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one

C19H35NO3 — CID 177357297

IUPAC1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
SMILESCOCCOCCN1CCC2(CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H35NO3/c1-16(2)18(21)17-4-6-19(7-5-17)8-10-20(11-9-19)12-13-23-15-14-22-3/h16-17H,4-15H2,1-3H3
InChIKeyNSHMBHNQZPOEBW-UHFFFAOYSA-N
MW325.49 g/mol
LogP3.15
Rot. Bonds8

About 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one

1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one (PubChem CID 177357297) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
PubChem CID177357297
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
SMILESCOCCOCCN1CCC2(CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H35NO3/c1-16(2)18(21)17-4-6-19(7-5-17)8-10-20(11-9-19)12-13-23-15-14-22-3/h16-17H,4-15H2,1-3H3
InChIKeyNSHMBHNQZPOEBW-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 169159063
2-methyl-1-[4-[4-[2-(2-methylsulfanyloxyethoxy)ethyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 177358485
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one
CID 169159522
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
2-[2-(2-methoxyethoxy)ethyl]-2,7-diazaspiro[4.4]nonane
CID 82038602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one (CID 177357297) is 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one is COCCOCCN1CCC2(CCC(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one?
The InChIKey is NSHMBHNQZPOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-16(2)18(21)17-4-6-19(7-5-17)8-10-20(11-9-19)12-13-23-15-14-22-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one?
1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one has a molecular weight of 325.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one is sourced from PubChem (CID 177357297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).