N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

C25H31NO3 — CID 22553668

IUPACN-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C=CC1(CCCC1)O3
InChIInChI=1S/C25H31NO3/c1-15-7-6-8-19(16(15)2)26-24(27)23-17(3)22-18-11-14-25(12-4-5-13-25)29-20(18)9-10-21(22)28-23/h9-11,14-16,19H,4-8,12-13H2,1-3H3,(H,26,27)
InChIKeyIXWCGDGJTROCDD-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.01
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide (PubChem CID 22553668) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
PubChem CID22553668
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
SMILESCc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C=CC1(CCCC1)O3
InChIInChI=1S/C25H31NO3/c1-15-7-6-8-19(16(15)2)26-24(27)23-17(3)22-18-11-14-25(12-4-5-13-25)29-20(18)9-10-21(22)28-23/h9-11,14-16,19H,4-8,12-13H2,1-3H3,(H,26,27)
InChIKeyIXWCGDGJTROCDD-UHFFFAOYSA-N
XLogP6.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide with MolForge

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Related Compounds

N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 20887674
(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 124771937
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide
CID 22509950
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide (CID 22553668) is N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide is Cc1c(C(=O)NC2CCCC(C)C2C)oc2ccc3c(c12)C=CC1(CCCC1)O3.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The InChIKey is IXWCGDGJTROCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-15-7-6-8-19(16(15)2)26-24(27)23-17(3)22-18-11-14-25(12-4-5-13-25)29-20(18)9-10-21(22)28-23/h9-11,14-16,19H,4-8,12-13H2,1-3H3,(H,26,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide is sourced from PubChem (CID 22553668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).