2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C18H24ClN3O3 — CID 91912633

IUPAC2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)Nc2ccccc2Cl)CC12CCOCC2
InChIInChI=1S/C18H24ClN3O3/c1-21(2)16(23)13-11-22(12-18(13)7-9-25-10-8-18)17(24)20-15-6-4-3-5-14(15)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)
InChIKeyIMGFWFDEXQRFKE-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.69
Rot. Bonds2

About 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91912633) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91912633
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)Nc2ccccc2Cl)CC12CCOCC2
InChIInChI=1S/C18H24ClN3O3/c1-21(2)16(23)13-11-22(12-18(13)7-9-25-10-8-18)17(24)20-15-6-4-3-5-14(15)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)
InChIKeyIMGFWFDEXQRFKE-UHFFFAOYSA-N
XLogP2.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91912633) is 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CN(C)C(=O)C1CN(C(=O)Nc2ccccc2Cl)CC12CCOCC2.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is IMGFWFDEXQRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-21(2)16(23)13-11-22(12-18(13)7-9-25-10-8-18)17(24)20-15-6-4-3-5-14(15)19/h3-6,13H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 365.86 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91912633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).