2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C22H21N3O4 — CID 20880111

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21N3O4/c1-14(15-6-7-19-20(10-15)28-9-8-27-19)24-21(26)12-25-22-16(11-23-25)13-29-18-5-3-2-4-17(18)22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyITYXSXGSQSJHBP-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.09
Rot. Bonds4

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 20880111) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID20880111
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21N3O4/c1-14(15-6-7-19-20(10-15)28-9-8-27-19)24-21(26)12-25-22-16(11-23-25)13-29-18-5-3-2-4-17(18)22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyITYXSXGSQSJHBP-UHFFFAOYSA-N
XLogP3.09
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882050
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20880030
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 94016885
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40734697
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132074
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51177619
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 136588214
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 29433713

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 20880111) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is CC(NC(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is ITYXSXGSQSJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(15-6-7-19-20(10-15)28-9-8-27-19)24-21(26)12-25-22-16(11-23-25)13-29-18-5-3-2-4-17(18)22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,24,26).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 20880111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).