N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide

C18H26N2O — CID 43595670

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)17(21)20-16-9-12-19-18(13-16)10-3-2-4-11-18/h5-8,16,19H,2-4,9-13H2,1H3,(H,20,21)
InChIKeyDHHKOFYAEPXIPS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.18
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide

N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide (PubChem CID 43595670) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
PubChem CID43595670
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)17(21)20-16-9-12-19-18(13-16)10-3-2-4-11-18/h5-8,16,19H,2-4,9-13H2,1H3,(H,20,21)
InChIKeyDHHKOFYAEPXIPS-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
CID 43595183
N-(5-azaspiro[3.5]nonan-8-yl)-4-hydroxybenzamide
CID 43595256
N-(5-azaspiro[3.5]nonan-8-yl)-5-methylfuran-2-carboxamide
CID 43595224
N-(5-azaspiro[3.5]nonan-8-yl)-3,5-difluorobenzamide
CID 43595353
N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
CID 43595738
N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43595660
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
CID 81477428
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594
N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide
CID 62959195
N-cyclobutyl-4-methylbenzamide
CID 23530676

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide (CID 43595670) is N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCNC3(CCCCC3)C2)cc1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide?
The InChIKey is DHHKOFYAEPXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)17(21)20-16-9-12-19-18(13-16)10-3-2-4-11-18/h5-8,16,19H,2-4,9-13H2,1H3,(H,20,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide?
N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide is sourced from PubChem (CID 43595670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).