9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide

C16H29N3O3 — CID 3232995

IUPAC9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)CCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C16H29N3O3/c1-13(2)17-15(21)19-10-6-16(7-11-19)4-8-18(9-5-16)14(20)12-22-3/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyUXSGLWAPBLHIOX-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.46
Rot. Bonds3

About 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 3232995) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID3232995
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)CCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C16H29N3O3/c1-13(2)17-15(21)19-10-6-16(7-11-19)4-8-18(9-5-16)14(20)12-22-3/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyUXSGLWAPBLHIOX-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 3232995) is 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide is COCC(=O)N1CCC2(CC1)CCN(C(=O)NC(C)C)CC2.
What is the InChIKey of 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is UXSGLWAPBLHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)17-15(21)19-10-6-16(7-11-19)4-8-18(9-5-16)14(20)12-22-3/h13H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyacetyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 3232995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).