N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide

C16H23NO3 — CID 2915932

IUPACN-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-3-5-6-12(4-2)10-17-16(18)13-7-8-14-15(9-13)20-11-19-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyRQHUXZSLSWCCCS-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.36
Rot. Bonds7

About N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide

N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 2915932) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
PubChem CID2915932
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-3-5-6-12(4-2)10-17-16(18)13-7-8-14-15(9-13)20-11-19-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyRQHUXZSLSWCCCS-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylhexyl)-4-oxobutanamide
CID 112759477
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119667368
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N-[2-(2-aminoethyl)pentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106116188
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide (CID 2915932) is N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide is CCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RQHUXZSLSWCCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-5-6-12(4-2)10-17-16(18)13-7-8-14-15(9-13)20-11-19-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide?
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2915932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).