N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide

C18H19NO4 — CID 26979272

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO4/c1-13-5-3-4-6-15(13)21-10-9-19(2)18(20)14-7-8-16-17(11-14)23-12-22-16/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZLBNBJCYPBYKCM-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide

N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 26979272) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID26979272
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO4/c1-13-5-3-4-6-15(13)21-10-9-19(2)18(20)14-7-8-16-17(11-14)23-12-22-16/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZLBNBJCYPBYKCM-UHFFFAOYSA-N
XLogP2.87
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841816
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104
N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142801

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide (CID 26979272) is N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZLBNBJCYPBYKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-5-3-4-6-15(13)21-10-9-19(2)18(20)14-7-8-16-17(11-14)23-12-22-16/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide?
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 26979272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).