N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide

C15H19NO3 — CID 1072428

IUPACN-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H19NO3/c17-15(8-11-4-2-1-3-5-11)16-12-6-7-13-14(9-12)19-10-18-13/h6-7,9,11H,1-5,8,10H2,(H,16,17)
InChIKeyVJIXPCBDNAQGAA-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.32
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide

N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide (PubChem CID 1072428) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
PubChem CID1072428
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H19NO3/c17-15(8-11-4-2-1-3-5-11)16-12-6-7-13-14(9-12)19-10-18-13/h6-7,9,11H,1-5,8,10H2,(H,16,17)
InChIKeyVJIXPCBDNAQGAA-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(1,3-benzodioxol-5-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9042682
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide (CID 1072428) is N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide?
The InChIKey is VJIXPCBDNAQGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(8-11-4-2-1-3-5-11)16-12-6-7-13-14(9-12)19-10-18-13/h6-7,9,11H,1-5,8,10H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide?
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide has a molecular weight of 261.32 g/mol, XLogP of 3.32, 3 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)-2-cyclohexylacetamide is sourced from PubChem (CID 1072428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).