N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide

C18H25ClN2O — CID 155221391

IUPACN-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC1CCC2(CC1)CN(C)CC2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-13-7-9-18(10-8-13)12-21(2)11-16(18)17(22)20-15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyWLGAZHFGLYQOJC-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.04
Rot. Bonds2

About N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide

N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155221391) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155221391
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC NameN-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC1CCC2(CC1)CN(C)CC2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-13-7-9-18(10-8-13)12-21(2)11-16(18)17(22)20-15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyWLGAZHFGLYQOJC-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
CID 155221409
4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628230
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
methyl 1-(4-chloroanilino)-4-methylcyclohexane-1-carboxylate
CID 54890558
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837117
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
N-(4-chlorophenyl)-2-[(1,3-dimethylpiperidin-4-yl)amino]acetamide
CID 115713823
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide (CID 155221391) is N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide is CC1CCC2(CC1)CN(C)CC2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is WLGAZHFGLYQOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-13-7-9-18(10-8-13)12-21(2)11-16(18)17(22)20-15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155221391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).