N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

C18H26Cl2N2O2 — CID 154900518

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1CNC(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C18H25ClN2O2.ClH/c1-2-9-23-16-4-3-14(19)10-13(16)12-21-17(22)15-11-18(15)5-7-20-8-6-18;/h3-4,10,15,20H,2,5-9,11-12H2,1H3,(H,21,22);1H
InChIKeyNCUSZDJIBSPDII-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.56
Rot. Bonds6

About N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (PubChem CID 154900518) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
PubChem CID154900518
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1CNC(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C18H25ClN2O2.ClH/c1-2-9-23-16-4-3-14(19)10-13(16)12-21-17(22)15-11-18(15)5-7-20-8-6-18;/h3-4,10,15,20H,2,5-9,11-12H2,1H3,(H,21,22);1H
InChIKeyNCUSZDJIBSPDII-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 103872581
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
CID 119071472
N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154900624
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 122562275
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (CID 154900518) is N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is CCCOc1ccc(Cl)cc1CNC(=O)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The InChIKey is NCUSZDJIBSPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c1-2-9-23-16-4-3-14(19)10-13(16)12-21-17(22)15-11-18(15)5-7-20-8-6-18;/h3-4,10,15,20H,2,5-9,11-12H2,1H3,(H,21,22);1H.
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride has a molecular weight of 373.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is sourced from PubChem (CID 154900518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).