N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide

C17H23ClN2O2 — CID 166322226

IUPACN-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)N1CCCC2(CCC2)C1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-1-5-15(12-14)22-11-9-19-16(21)20-10-3-8-17(13-20)6-2-7-17/h1,4-5,12H,2-3,6-11,13H2,(H,19,21)
InChIKeyRSQCKEJOHJWIJV-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 166322226) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID166322226
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)N1CCCC2(CCC2)C1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-1-5-15(12-14)22-11-9-19-16(21)20-10-3-8-17(13-20)6-2-7-17/h1,4-5,12H,2-3,6-11,13H2,(H,19,21)
InChIKeyRSQCKEJOHJWIJV-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide (CID 166322226) is N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide is O=C(NCCOc1cccc(Cl)c1)N1CCCC2(CCC2)C1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is RSQCKEJOHJWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-4-1-5-15(12-14)22-11-9-19-16(21)20-10-3-8-17(13-20)6-2-7-17/h1,4-5,12H,2-3,6-11,13H2,(H,19,21).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 166322226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).