N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

C17H24Cl2N2O2 — CID 154900624

IUPACN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCc1cccc(Cl)c1OCCNC(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-3-2-4-14(18)15(12)22-10-9-20-16(21)13-11-17(13)5-7-19-8-6-17;/h2-4,13,19H,5-11H2,1H3,(H,20,21);1H
InChIKeyAQFXTDCTCPNWGM-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (PubChem CID 154900624) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
PubChem CID154900624
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCc1cccc(Cl)c1OCCNC(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-3-2-4-14(18)15(12)22-10-9-20-16(21)13-11-17(13)5-7-19-8-6-17;/h2-4,13,19H,5-11H2,1H3,(H,20,21);1H
InChIKeyAQFXTDCTCPNWGM-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
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 N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (CID 154900624) is N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is Cc1cccc(Cl)c1OCCNC(=O)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The InChIKey is AQFXTDCTCPNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c1-12-3-2-4-14(18)15(12)22-10-9-20-16(21)13-11-17(13)5-7-19-8-6-17;/h2-4,13,19H,5-11H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is sourced from PubChem (CID 154900624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).