N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide

C14H18N2O5 — CID 110642786

IUPACN-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NOCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c17-14(11-1-2-12-13(9-11)20-10-19-12)15-21-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8,10H2,(H,15,17)
InChIKeyKFQOOXDNCGRZLN-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.41
Rot. Bonds5

About N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide

N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide (PubChem CID 110642786) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide
PubChem CID110642786
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NOCCN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c17-14(11-1-2-12-13(9-11)20-10-19-12)15-21-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8,10H2,(H,15,17)
InChIKeyKFQOOXDNCGRZLN-UHFFFAOYSA-N
XLogP0.41
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
CID 67561389
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422667
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110288155
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-(2-morpholin-4-ylethyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100605642
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
2-morpholin-4-ylethyl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468394
1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361578
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide (CID 110642786) is N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide is O=C(NOCCN1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KFQOOXDNCGRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-14(11-1-2-12-13(9-11)20-10-19-12)15-21-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8,10H2,(H,15,17).
What are the key properties of N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide?
N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110642786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).