1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C18H28N2O3 — CID 131663353

IUPAC1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccc(C)o1)CC2
InChIInChI=1S/C18H28N2O3/c1-15-4-5-16(23-15)14-19-10-3-7-18(9-11-19)8-6-17(21)20(18)12-13-22-2/h4-5H,3,6-14H2,1-2H3
InChIKeyGTMIYNYUNIBRLW-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131663353) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131663353
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccc(C)o1)CC2
InChIInChI=1S/C18H28N2O3/c1-15-4-5-16(23-15)14-19-10-3-7-18(9-11-19)8-6-17(21)20(18)12-13-22-2/h4-5H,3,6-14H2,1-2H3
InChIKeyGTMIYNYUNIBRLW-UHFFFAOYSA-N
XLogP2.58
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127023277
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484856
8-[(5-methylfuran-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155848726
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131663353) is 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CCC12CCCN(Cc1ccc(C)o1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is GTMIYNYUNIBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15-4-5-16(23-15)14-19-10-3-7-18(9-11-19)8-6-17(21)20(18)12-13-22-2/h4-5H,3,6-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 320.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131663353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).