N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide

C18H34N2O — CID 82989505

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-3-8-15(9-4-2)17(21)20-16-10-13-19-18(14-16)11-6-5-7-12-18/h15-16,19H,3-14H2,1-2H3,(H,20,21)
InChIKeyZZTDPFLJSYVZMS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.77
Rot. Bonds6

About N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide

N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide (PubChem CID 82989505) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide
PubChem CID82989505
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-3-8-15(9-4-2)17(21)20-16-10-13-19-18(14-16)11-6-5-7-12-18/h15-16,19H,3-14H2,1-2H3,(H,20,21)
InChIKeyZZTDPFLJSYVZMS-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide (CID 82989505) is N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide?
The InChIKey is ZZTDPFLJSYVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-8-15(9-4-2)17(21)20-16-10-13-19-18(14-16)11-6-5-7-12-18/h15-16,19H,3-14H2,1-2H3,(H,20,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide?
N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide has a molecular weight of 294.48 g/mol, XLogP of 3.77, 6 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)-2-propylpentanamide is sourced from PubChem (CID 82989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).