N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide

C17H17NO4 — CID 71192997

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CCc1cccc(O)c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4/c19-14-3-1-2-12(10-14)4-7-17(20)18-13-5-6-15-16(11-13)22-9-8-21-15/h1-3,5-6,10-11,19H,4,7-9H2,(H,18,20)
InChIKeyZQQMOIOKZOTJKM-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide (PubChem CID 71192997) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
PubChem CID71192997
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CCc1cccc(O)c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4/c19-14-3-1-2-12(10-14)4-7-17(20)18-13-5-6-15-16(11-13)22-9-8-21-15/h1-3,5-6,10-11,19H,4,7-9H2,(H,18,20)
InChIKeyZQQMOIOKZOTJKM-UHFFFAOYSA-N
XLogP2.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)propanamide
CID 17488745
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112781040
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide (CID 71192997) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide is O=C(CCc1cccc(O)c1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide?
The InChIKey is ZQQMOIOKZOTJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-14-3-1-2-12(10-14)4-7-17(20)18-13-5-6-15-16(11-13)22-9-8-21-15/h1-3,5-6,10-11,19H,4,7-9H2,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide has a molecular weight of 299.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 71192997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).