N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide

C21H24N2O4 — CID 42724305

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O4/c24-21(18-4-2-1-3-5-18)23(9-8-22-10-12-25-13-11-22)15-17-6-7-19-20(14-17)27-16-26-19/h1-7,14H,8-13,15-16H2
InChIKeyIAFZBKDLUOPIRI-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.39
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42724305) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42724305
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O4/c24-21(18-4-2-1-3-5-18)23(9-8-22-10-12-25-13-11-22)15-17-6-7-19-20(14-17)27-16-26-19/h1-7,14H,8-13,15-16H2
InChIKeyIAFZBKDLUOPIRI-UHFFFAOYSA-N
XLogP2.39
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 42793348
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 4199822
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 3318512
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 5086130
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
CID 42851103
(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6278984
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4122907

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 42724305) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IAFZBKDLUOPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-21(18-4-2-1-3-5-18)23(9-8-22-10-12-25-13-11-22)15-17-6-7-19-20(14-17)27-16-26-19/h1-7,14H,8-13,15-16H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).