N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C19H20N2O5 — CID 55844167

IUPACN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1cccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20N2O5/c1-2-24-15-5-3-4-13(8-15)10-20-18(22)11-21-19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOEJCABLYCJVOKI-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55844167) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55844167
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1cccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20N2O5/c1-2-24-15-5-3-4-13(8-15)10-20-18(22)11-21-19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOEJCABLYCJVOKI-UHFFFAOYSA-N
XLogP1.86
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46424596
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
N-[2-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 47093414
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 29304311
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17441184
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18154162
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxyphenyl)methanamine;hydrochloride
CID 17291871
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7882991
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 55844167) is N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is CCOc1cccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OEJCABLYCJVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-24-15-5-3-4-13(8-15)10-20-18(22)11-21-19(23)14-6-7-16-17(9-14)26-12-25-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55844167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).