N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide

C16H21NO3 — CID 2709597

IUPACN-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,1-6,9,11H2,(H,17,18)
InChIKeySPQQBAAVNWYOLW-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.71
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide

N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide (PubChem CID 2709597) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
PubChem CID2709597
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,1-6,9,11H2,(H,17,18)
InChIKeySPQQBAAVNWYOLW-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide (CID 2709597) is N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide?
The InChIKey is SPQQBAAVNWYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h7-8,10,12H,1-6,9,11H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 2709597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).