N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

C22H19NO3 — CID 18143667

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H19NO3/c1-13(16-8-10-19-20(11-16)26-12-25-19)23-22(24)18-9-7-15-6-5-14-3-2-4-17(18)21(14)15/h2-4,7-11,13H,5-6,12H2,1H3,(H,23,24)
InChIKeyFMWXSQKYZWIVPI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.16
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 18143667) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID18143667
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H19NO3/c1-13(16-8-10-19-20(11-16)26-12-25-19)23-22(24)18-9-7-15-6-5-14-3-2-4-17(18)21(14)15/h2-4,7-11,13H,5-6,12H2,1H3,(H,23,24)
InChIKeyFMWXSQKYZWIVPI-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 24610243
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 46414825
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
CID 71894359
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyanobenzamide
CID 18143433

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 18143667) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is CC(NC(=O)c1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is FMWXSQKYZWIVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-13(16-8-10-19-20(11-16)26-12-25-19)23-22(24)18-9-7-15-6-5-14-3-2-4-17(18)21(14)15/h2-4,7-11,13H,5-6,12H2,1H3,(H,23,24).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 18143667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).