(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide

C20H29ClN2O2 — CID 26349243

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC23CCN(CCC(C)C)CC3)cc1Cl
InChIInChI=1S/C20H29ClN2O2/c1-14(2)6-9-23-10-7-20(8-11-23)13-16(20)19(24)22-15-4-5-18(25-3)17(21)12-15/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeySKQRIMGSAYVKGH-INIZCTEOSA-N
MW364.92 g/mol
LogP4.44
Rot. Bonds6

About (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26349243) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26349243
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC23CCN(CCC(C)C)CC3)cc1Cl
InChIInChI=1S/C20H29ClN2O2/c1-14(2)6-9-23-10-7-20(8-11-23)13-16(20)19(24)22-15-4-5-18(25-3)17(21)12-15/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeySKQRIMGSAYVKGH-INIZCTEOSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45202277
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
(2S)-6-(1,3-benzothiazol-2-ylmethyl)-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42399151
N-(3-chloro-4-methoxyphenyl)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45181094
N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45166342
N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463182
N-(3-chloro-4-methoxyphenyl)-6-(quinolin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165561
(2R)-N-(3-chloro-4-methoxyphenyl)-6-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42248164
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133907
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 26349243) is (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CC23CCN(CCC(C)C)CC3)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is SKQRIMGSAYVKGH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-14(2)6-9-23-10-7-20(8-11-23)13-16(20)19(24)22-15-4-5-18(25-3)17(21)12-15/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26349243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).