N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H20N2O4 — CID 2996589

IUPACN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O4/c22-19(14-5-6-17-18(13-14)25-12-11-24-17)20-15-3-1-2-4-16(15)21-7-9-23-10-8-21/h1-6,13H,7-12H2,(H,20,22)
InChIKeySQQZPDQLKNXJJP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2996589) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2996589
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O4/c22-19(14-5-6-17-18(13-14)25-12-11-24-17)20-15-3-1-2-4-16(15)21-7-9-23-10-8-21/h1-6,13H,7-12H2,(H,20,22)
InChIKeySQQZPDQLKNXJJP-UHFFFAOYSA-N
XLogP2.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4511810
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2996589) is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is SQQZPDQLKNXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(14-5-6-17-18(13-14)25-12-11-24-17)20-15-3-1-2-4-16(15)21-7-9-23-10-8-21/h1-6,13H,7-12H2,(H,20,22).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2996589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).