N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide

C21H31N3O2 — CID 70781141

IUPACN-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)c1
InChIInChI=1S/C21H31N3O2/c1-15(2)24-14-21(6-5-19(24)25)7-9-23(10-8-21)20(26)22-18-12-16(3)11-17(4)13-18/h11-13,15H,5-10,14H2,1-4H3,(H,22,26)
InChIKeyUDRGMJLCIIIIOD-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.95
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 70781141) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID70781141
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)c1
InChIInChI=1S/C21H31N3O2/c1-15(2)24-14-21(6-5-19(24)25)7-9-23(10-8-21)20(26)22-18-12-16(3)11-17(4)13-18/h11-13,15H,5-10,14H2,1-4H3,(H,22,26)
InChIKeyUDRGMJLCIIIIOD-UHFFFAOYSA-N
XLogP3.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 70781141) is N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is UDRGMJLCIIIIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)24-14-21(6-5-19(24)25)7-9-23(10-8-21)20(26)22-18-12-16(3)11-17(4)13-18/h11-13,15H,5-10,14H2,1-4H3,(H,22,26).
What are the key properties of N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 70781141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).