4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C16H27N3O3 — CID 131658398

IUPAC4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C16H27N3O3/c1-12-16(6-8-18(9-7-16)15(21)17(2)3)22-11-14(20)19(12)10-13-4-5-13/h12-13H,4-11H2,1-3H3
InChIKeyXQTKKPHRQPDYER-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.16
Rot. Bonds2

About 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 131658398) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID131658398
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C16H27N3O3/c1-12-16(6-8-18(9-7-16)15(21)17(2)3)22-11-14(20)19(12)10-13-4-5-13/h12-13H,4-11H2,1-3H3
InChIKeyXQTKKPHRQPDYER-UHFFFAOYSA-N
XLogP1.16
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 131658398) is 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CC1N(CC2CC2)C(=O)COC12CCN(C(=O)N(C)C)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is XQTKKPHRQPDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-16(6-8-18(9-7-16)15(21)17(2)3)22-11-14(20)19(12)10-13-4-5-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 131658398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).