N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide

C20H20N2O6 — CID 992710

IUPACN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O6/c23-19(22-7-9-25-10-8-22)12-26-16-4-2-15(3-5-16)21-20(24)14-1-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKeyNPTNEWLDOSLYPI-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.91
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 992710) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID992710
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O6/c23-19(22-7-9-25-10-8-22)12-26-16-4-2-15(3-5-16)21-20(24)14-1-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKeyNPTNEWLDOSLYPI-UHFFFAOYSA-N
XLogP1.91
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 131932276
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
N-(4-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617165
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 36886354
3-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyridine-4-carboxamide
CID 131932108
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide (CID 992710) is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NPTNEWLDOSLYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-19(22-7-9-25-10-8-22)12-26-16-4-2-15(3-5-16)21-20(24)14-1-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,21,24).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 992710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).