N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

C21H34N2O6 — CID 166200762

IUPACN-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCCC(CNC(=O)C1CCCC12OCCO2)CNC(=O)C1CCCC12OCCO2
InChIInChI=1S/C21H34N2O6/c1-2-15(13-22-18(24)16-5-3-7-20(16)26-9-10-27-20)14-23-19(25)17-6-4-8-21(17)28-11-12-29-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyWZCGAEZJXHBZNC-UHFFFAOYSA-N
MW410.51 g/mol
LogP1.33
Rot. Bonds7

About N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (PubChem CID 166200762) has the molecular formula C21H34N2O6 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
PubChem CID166200762
Molecular FormulaC21H34N2O6
Molecular Weight410.51 g/mol
Exact Mass410.24
IUPAC NameN-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCCC(CNC(=O)C1CCCC12OCCO2)CNC(=O)C1CCCC12OCCO2
InChIInChI=1S/C21H34N2O6/c1-2-15(13-22-18(24)16-5-3-7-20(16)26-9-10-27-20)14-23-19(25)17-6-4-8-21(17)28-11-12-29-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyWZCGAEZJXHBZNC-UHFFFAOYSA-N
XLogP1.33
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (CID 166200762) is N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is CCC(CNC(=O)C1CCCC12OCCO2)CNC(=O)C1CCCC12OCCO2.
What is the InChIKey of N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The InChIKey is WZCGAEZJXHBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O6/c1-2-15(13-22-18(24)16-5-3-7-20(16)26-9-10-27-20)14-23-19(25)17-6-4-8-21(17)28-11-12-29-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 166200762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).