N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide

C19H21NO4 — CID 132760630

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-3-15(24-16-7-5-4-6-13(16)2)19(21)20-11-14-8-9-17-18(10-14)23-12-22-17/h4-10,15H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyNHLVFQUVBUSBFL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.20
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide (PubChem CID 132760630) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
PubChem CID132760630
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-3-15(24-16-7-5-4-6-13(16)2)19(21)20-11-14-8-9-17-18(10-14)23-12-22-17/h4-10,15H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyNHLVFQUVBUSBFL-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184927
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841816
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
[(2S)-1-(benzylamino)-1-oxobutan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 41477330

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide (CID 132760630) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is NHLVFQUVBUSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-15(24-16-7-5-4-6-13(16)2)19(21)20-11-14-8-9-17-18(10-14)23-12-22-17/h4-10,15H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 327.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 132760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).