N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide

C19H20N2O4 — CID 881514

IUPACN-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c22-19(20-16-5-6-17-18(11-16)25-13-24-17)15-3-1-14(2-4-15)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22)
InChIKeyPUOGDXPWFUYYGN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.50
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 881514) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID881514
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c22-19(20-16-5-6-17-18(11-16)25-13-24-17)15-3-1-14(2-4-15)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22)
InChIKeyPUOGDXPWFUYYGN-UHFFFAOYSA-N
XLogP2.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-(2-hydroxyphenyl)benzamide
CID 10110195
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 11690271
4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 24887290
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one
CID 24888184
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
CID 2393470
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2161567
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide (CID 881514) is N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is PUOGDXPWFUYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(20-16-5-6-17-18(11-16)25-13-24-17)15-3-1-14(2-4-15)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 881514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).