N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide

C22H20N2O4 — CID 24543744

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O4/c25-21(23-13-15-5-8-19-20(11-15)28-10-9-27-19)14-24-22(26)18-7-6-16-3-1-2-4-17(16)12-18/h1-8,11-12H,9-10,13-14H2,(H,23,25)(H,24,26)
InChIKeyRYYFAQDMHPELHK-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 24543744) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID24543744
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O4/c25-21(23-13-15-5-8-19-20(11-15)28-10-9-27-19)14-24-22(26)18-7-6-16-3-1-2-4-17(16)12-18/h1-8,11-12H,9-10,13-14H2,(H,23,25)(H,24,26)
InChIKeyRYYFAQDMHPELHK-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
N-[2-[[3-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46424596
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 29304311
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55844167
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18154162
N-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalene-2-carboxamide
CID 27670981

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide (CID 24543744) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide is O=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is RYYFAQDMHPELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(23-13-15-5-8-19-20(11-15)28-10-9-27-19)14-24-22(26)18-7-6-16-3-1-2-4-17(16)12-18/h1-8,11-12H,9-10,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24543744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).