N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C18H28Cl3N3O2 — CID 154894652

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)NCCOc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C18H26ClN3O2.2ClH/c1-22-13-18(6-8-20-9-7-18)12-15(22)17(23)21-10-11-24-16-5-3-2-4-14(16)19;;/h2-5,15,20H,6-13H2,1H3,(H,21,23);2*1H
InChIKeyMSXQGIMDMXBWLK-UHFFFAOYSA-N
MW424.80 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154894652) has the molecular formula C18H28Cl3N3O2 and a molecular weight of 424.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
PubChem CID154894652
Molecular FormulaC18H28Cl3N3O2
Molecular Weight424.80 g/mol
Exact Mass423.12
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)NCCOc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C18H26ClN3O2.2ClH/c1-22-13-18(6-8-20-9-7-18)12-15(22)17(23)21-10-11-24-16-5-3-2-4-14(16)19;;/h2-5,15,20H,6-13H2,1H3,(H,21,23);2*1H
InChIKeyMSXQGIMDMXBWLK-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride 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

(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894798
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746
(3R)-2-methyl-N-(2-naphthalen-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95863233
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone
CID 95863111
(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95876902
(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873096
N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
CID 108883600
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862437
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154894652) is N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is CN1CC2(CCNCC2)CC1C(=O)NCCOc1ccccc1Cl.Cl.Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The InChIKey is MSXQGIMDMXBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.2ClH/c1-22-13-18(6-8-20-9-7-18)12-15(22)17(23)21-10-11-24-16-5-3-2-4-14(16)19;;/h2-5,15,20H,6-13H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 424.80 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154894652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).