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

C18H19NO4 — CID 2971232

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO4/c1-3-21-15-7-5-4-6-14(15)18(20)19-12(2)13-8-9-16-17(10-13)23-11-22-16/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyPWMRYVMMSLJBES-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.31
Rot. Bonds5

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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide (PubChem CID 2971232) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide
PubChem CID2971232
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO4/c1-3-21-15-7-5-4-6-14(15)18(20)19-12(2)13-8-9-16-17(10-13)23-11-22-16/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyPWMRYVMMSLJBES-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide (CID 2971232) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide?
The InChIKey is PWMRYVMMSLJBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-21-15-7-5-4-6-14(15)18(20)19-12(2)13-8-9-16-17(10-13)23-11-22-16/h4-10,12H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 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-ethoxybenzamide is sourced from PubChem (CID 2971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).