2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide

C17H25N3O — CID 102850523

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(N2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-4-5-14(16(18)21)15(10-13)20-9-3-7-17(12-20)6-2-8-19-11-17/h4-5,10,19H,2-3,6-9,11-12H2,1H3,(H2,18,21)
InChIKeyUDDQSGQKSNOYAG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.06
Rot. Bonds2

About 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide

2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide (PubChem CID 102850523) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
PubChem CID102850523
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(N2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-4-5-14(16(18)21)15(10-13)20-9-3-7-17(12-20)6-2-8-19-11-17/h4-5,10,19H,2-3,6-9,11-12H2,1H3,(H2,18,21)
InChIKeyUDDQSGQKSNOYAG-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide (CID 102850523) is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide is Cc1ccc(C(N)=O)c(N2CCCC3(CCCNC3)C2)c1.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide?
The InChIKey is UDDQSGQKSNOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-4-5-14(16(18)21)15(10-13)20-9-3-7-17(12-20)6-2-8-19-11-17/h4-5,10,19H,2-3,6-9,11-12H2,1H3,(H2,18,21).
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide?
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 102850523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).