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

C20H17NO3 — CID 18117805

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c22-20(17-7-6-15-3-1-2-4-16(15)12-17)21-10-9-14-5-8-18-19(11-14)24-13-23-18/h1-8,11-12H,9-10,13H2,(H,21,22)
InChIKeyQACYXOPDEIZVJX-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.54
Rot. Bonds4

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 18117805) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
PubChem CID18117805
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c22-20(17-7-6-15-3-1-2-4-16(15)12-17)21-10-9-14-5-8-18-19(11-14)24-13-23-18/h1-8,11-12H,9-10,13H2,(H,21,22)
InChIKeyQACYXOPDEIZVJX-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 46613009
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18117738
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide (CID 18117805) is N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is QACYXOPDEIZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(17-7-6-15-3-1-2-4-16(15)12-17)21-10-9-14-5-8-18-19(11-14)24-13-23-18/h1-8,11-12H,9-10,13H2,(H,21,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18117805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).