1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one

C19H28N2O4 — CID 109025362

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
SMILESCOc1ccccc1CCNCCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H28N2O4/c1-23-17-5-3-2-4-16(17)6-10-20-11-7-18(22)21-12-8-19(9-13-21)24-14-15-25-19/h2-5,20H,6-15H2,1H3
InChIKeyLWVVEQSFZGQTCO-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.58
Rot. Bonds7

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one (PubChem CID 109025362) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
PubChem CID109025362
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
SMILESCOc1ccccc1CCNCCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H28N2O4/c1-23-17-5-3-2-4-16(17)6-10-20-11-7-18(22)21-12-8-19(9-13-21)24-14-15-25-19/h2-5,20H,6-15H2,1H3
InChIKeyLWVVEQSFZGQTCO-UHFFFAOYSA-N
XLogP1.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000606
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 109137808
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334752
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
CID 110333123
3-(2,4-dimethoxyanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028411
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308616
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
ethyl 4-[2-[2-(2-methoxyphenyl)ethylamino]acetyl]piperazine-1-carboxylate
CID 109000609

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one (CID 109025362) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one is COc1ccccc1CCNCCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one?
The InChIKey is LWVVEQSFZGQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-17-5-3-2-4-16(17)6-10-20-11-7-18(22)21-12-8-19(9-13-21)24-14-15-25-19/h2-5,20H,6-15H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one has a molecular weight of 348.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one is sourced from PubChem (CID 109025362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).