N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide

C17H17NO4 — CID 51323702

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(O)c1
InChIInChI=1S/C17H17NO4/c1-10-3-5-13(14(19)7-10)17(20)18-11(2)12-4-6-15-16(8-12)22-9-21-15/h3-8,11,19H,9H2,1-2H3,(H,18,20)
InChIKeyWAYMDLWUVQTTJR-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 51323702) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID51323702
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(O)c1
InChIInChI=1S/C17H17NO4/c1-10-3-5-13(14(19)7-10)17(20)18-11(2)12-4-6-15-16(8-12)22-9-21-15/h3-8,11,19H,9H2,1-2H3,(H,18,20)
InChIKeyWAYMDLWUVQTTJR-UHFFFAOYSA-N
XLogP2.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630049
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51324001
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 18143667
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18143474
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 35071968
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide (CID 51323702) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(O)c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is WAYMDLWUVQTTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10-3-5-13(14(19)7-10)17(20)18-11(2)12-4-6-15-16(8-12)22-9-21-15/h3-8,11,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 51323702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).