N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide

C17H29N3O3 — CID 97127847

IUPACN,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18(2)16(22)19-9-7-17(8-10-19)6-5-15(21)20(13-17)12-14-4-3-11-23-14/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyOSVZYAXPQRMRBP-AWEZNQCLSA-N
MW323.44 g/mol
LogP1.55
Rot. Bonds2

About N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide

N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97127847) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97127847
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-18(2)16(22)19-9-7-17(8-10-19)6-5-15(21)20(13-17)12-14-4-3-11-23-14/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyOSVZYAXPQRMRBP-AWEZNQCLSA-N
XLogP1.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97127847) is N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide is CN(C)C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1.
What is the InChIKey of N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is OSVZYAXPQRMRBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-18(2)16(22)19-9-7-17(8-10-19)6-5-15(21)20(13-17)12-14-4-3-11-23-14/h14H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97127847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).