4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide

C19H27ClN2O2 — CID 155024335

IUPAC4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCCCC2CC23CCNCC3)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-22(2)18(23)16-6-5-15(12-17(16)20)24-11-3-4-14-13-19(14)7-9-21-10-8-19/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3
InChIKeyMNPNKUXNHLUOGC-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.59
Rot. Bonds6

About 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide

4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide (PubChem CID 155024335) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide
PubChem CID155024335
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCCCC2CC23CCNCC3)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-22(2)18(23)16-6-5-15(12-17(16)20)24-11-3-4-14-13-19(14)7-9-21-10-8-19/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3
InChIKeyMNPNKUXNHLUOGC-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide (CID 155024335) is 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCCCC2CC23CCNCC3)cc1Cl.
What is the InChIKey of 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is MNPNKUXNHLUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-22(2)18(23)16-6-5-15(12-17(16)20)24-11-3-4-14-13-19(14)7-9-21-10-8-19/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3.
What are the key properties of 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide?
4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 350.89 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 155024335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).