1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide

C16H29N3O3 — CID 118738797

IUPAC1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCOCCN1C(=O)CCC12CCCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C16H29N3O3/c1-13(2)17-15(21)18-9-4-6-16(8-10-18)7-5-14(20)19(16)11-12-22-3/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyFNNNAFODUYHJJQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide

1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 118738797) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID118738797
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCOCCN1C(=O)CCC12CCCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C16H29N3O3/c1-13(2)17-15(21)18-9-4-6-16(8-10-18)7-5-14(20)19(16)11-12-22-3/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyFNNNAFODUYHJJQ-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484856
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450555
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide (CID 118738797) is 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide is COCCN1C(=O)CCC12CCCN(C(=O)NC(C)C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is FNNNAFODUYHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)17-15(21)18-9-4-6-16(8-10-18)7-5-14(20)19(16)11-12-22-3/h13H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide?
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 118738797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).