N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide

C21H28N2O4 — CID 3238369

IUPACN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H28N2O4/c1-23(19(24)15-9-10-17-18(13-15)27-14-26-17)21(11-5-2-6-12-21)20(25)22-16-7-3-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,22,25)
InChIKeyCRGQCTVVHTYCNJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 3238369) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID3238369
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H28N2O4/c1-23(19(24)15-9-10-17-18(13-15)27-14-26-17)21(11-5-2-6-12-21)20(25)22-16-7-3-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,22,25)
InChIKeyCRGQCTVVHTYCNJ-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 40829015
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 3250615
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 2628710
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
[2-(cyclohexylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2370567
2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide
CID 45147830
1,3-benzodioxol-5-ylmethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium
CID 7236826
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
2-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-oxoacetamide
CID 82116103
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CID 3238369) is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide is CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is CRGQCTVVHTYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-23(19(24)15-9-10-17-18(13-15)27-14-26-17)21(11-5-2-6-12-21)20(25)22-16-7-3-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3238369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).