N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H17NO3 — CID 16547660

IUPACN-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
InChIKeyZMFWYMJZUHKWNQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds4

About N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 16547660) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID16547660
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
InChIKeyZMFWYMJZUHKWNQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-fluoro-4-methylbenzamide
CID 17450089
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 16547660) is N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ZMFWYMJZUHKWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19).
What are the key properties of N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 16547660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).