2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide

C16H21NO4 — CID 45147830

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-11(16(18)17-12-5-3-2-4-6-12)21-13-7-8-14-15(9-13)20-10-19-14/h7-9,11-12H,2-6,10H2,1H3,(H,17,18)
InChIKeyCSIYVLGFCCKQFJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.63
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide

2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide (PubChem CID 45147830) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide
PubChem CID45147830
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-11(16(18)17-12-5-3-2-4-6-12)21-13-7-8-14-15(9-13)20-10-19-14/h7-9,11-12H,2-6,10H2,1H3,(H,17,18)
InChIKeyCSIYVLGFCCKQFJ-UHFFFAOYSA-N
XLogP2.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 2628710
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 8705093

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide (CID 45147830) is 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide?
The InChIKey is CSIYVLGFCCKQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(16(18)17-12-5-3-2-4-6-12)21-13-7-8-14-15(9-13)20-10-19-14/h7-9,11-12H,2-6,10H2,1H3,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide?
2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide is sourced from PubChem (CID 45147830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).