N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

C26H35NO4 — CID 20887674

IUPACN-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C26H35NO4/c1-15-8-7-9-18(16(15)2)27-25(29)24-17(3)22-20(30-24)10-11-21-23(22)19(28)14-26(31-21)12-5-4-6-13-26/h10-11,15-16,18-19,28H,4-9,12-14H2,1-3H3,(H,27,29)
InChIKeyBURLILZARURVGL-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.81
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 20887674) has the molecular formula C26H35NO4 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID20887674
Molecular FormulaC26H35NO4
Molecular Weight425.57 g/mol
Exact Mass425.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C26H35NO4/c1-15-8-7-9-18(16(15)2)27-25(29)24-17(3)22-20(30-24)10-11-21-23(22)19(28)14-26(31-21)12-5-4-6-13-26/h10-11,15-16,18-19,28H,4-9,12-14H2,1-3H3,(H,27,29)
InChIKeyBURLILZARURVGL-UHFFFAOYSA-N
XLogP5.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
CID 22553668
9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 20916497
9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
CID 20916473
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 124771937
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511190
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861354
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 20887674) is N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is Cc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is BURLILZARURVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4/c1-15-8-7-9-18(16(15)2)27-25(29)24-17(3)22-20(30-24)10-11-21-23(22)19(28)14-26(31-21)12-5-4-6-13-26/h10-11,15-16,18-19,28H,4-9,12-14H2,1-3H3,(H,27,29).
What are the key properties of N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 20887674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).