N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide

C19H31N5O2 — CID 110130401

IUPACN-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CN(C(=O)Cn2nc(C)nc2C)C2(CCCCC2)C1
InChIInChI=1S/C19H31N5O2/c1-5-22(16(4)25)17-11-19(9-7-6-8-10-19)23(12-17)18(26)13-24-15(3)20-14(2)21-24/h17H,5-13H2,1-4H3
InChIKeyQNIUPTRGBYKVSR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.07
Rot. Bonds4

About N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide

N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide (PubChem CID 110130401) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide
PubChem CID110130401
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CN(C(=O)Cn2nc(C)nc2C)C2(CCCCC2)C1
InChIInChI=1S/C19H31N5O2/c1-5-22(16(4)25)17-11-19(9-7-6-8-10-19)23(12-17)18(26)13-24-15(3)20-14(2)21-24/h17H,5-13H2,1-4H3
InChIKeyQNIUPTRGBYKVSR-UHFFFAOYSA-N
XLogP2.07
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide?
The IUPAC name of N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide (CID 110130401) is N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide?
The canonical SMILES for N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide is CCN(C(C)=O)C1CN(C(=O)Cn2nc(C)nc2C)C2(CCCCC2)C1.
What is the InChIKey of N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide?
The InChIKey is QNIUPTRGBYKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-5-22(16(4)25)17-11-19(9-7-6-8-10-19)23(12-17)18(26)13-24-15(3)20-14(2)21-24/h17H,5-13H2,1-4H3.
What are the key properties of N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide?
N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide has a molecular weight of 361.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-azaspiro[4.5]decan-3-yl]-N-ethylacetamide is sourced from PubChem (CID 110130401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).