methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C23H35N3O4 — CID 158594299

IUPACmethanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN.COc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C22H30N2O4.CH5N/c1-23(13-14-24-11-3-4-12-24)20(25)16-7-9-22(10-8-16)19-6-5-17(27-2)15-18(19)21(26)28-22;1-2/h5-6,15-16H,3-4,7-14H2,1-2H3;2H2,1H3
InChIKeyHUVGTYCDHFFOQW-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.38
Rot. Bonds5

About methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 158594299) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Namemethanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID158594299
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Namemethanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN.COc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C22H30N2O4.CH5N/c1-23(13-14-24-11-3-4-12-24)20(25)16-7-9-22(10-8-16)19-6-5-17(27-2)15-18(19)21(26)28-22;1-2/h5-6,15-16H,3-4,7-14H2,1-2H3;2H2,1H3
InChIKeyHUVGTYCDHFFOQW-UHFFFAOYSA-N
XLogP2.38
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11596479
5-hydroxy-N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11646729
5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11677118
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-yloxyspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11634052
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11619262
5-(2-fluoroethoxy)-N-methyl-3-oxo-N-(2-piperidin-2-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide;hydrochloride
CID 87599139
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
CID 67280810
N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
CID 16660111
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
CID 141133258
6-methoxy-1'-(4'-oxospiro[1,3-dihydroindene-2,5'-1,3-oxazole]-2'-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 118174284

Frequently Asked Questions

What is the IUPAC name of methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 158594299) is methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CN.COc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1.
What is the InChIKey of methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is HUVGTYCDHFFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4.CH5N/c1-23(13-14-24-11-3-4-12-24)20(25)16-7-9-22(10-8-16)19-6-5-17(27-2)15-18(19)21(26)28-22;1-2/h5-6,15-16H,3-4,7-14H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 158594299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).