(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide

C19H18N2O4 — CID 27863638

IUPAC(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-13(25-16-6-3-14(10-20)4-7-16)19(22)21(2)11-15-5-8-17-18(9-15)24-12-23-17/h3-9,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyMHBVCNCLUUOOOO-CYBMUJFWSA-N
MW338.36 g/mol
LogP2.71
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide (PubChem CID 27863638) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
PubChem CID27863638
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c1-13(25-16-6-3-14(10-20)4-7-16)19(22)21(2)11-15-5-8-17-18(9-15)24-12-23-17/h3-9,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyMHBVCNCLUUOOOO-CYBMUJFWSA-N
XLogP2.71
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116222
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116226
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
1,3-benzodioxol-5-ylmethyl 2-(4-cyanophenoxy)propanoate
CID 42900529
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 55825188
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510323
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 95209370
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
CID 55609402
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromo-4-chlorophenoxy)-N-methylpropanamide
CID 55543951

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide (CID 27863638) is (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide?
The InChIKey is MHBVCNCLUUOOOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(25-16-6-3-14(10-20)4-7-16)19(22)21(2)11-15-5-8-17-18(9-15)24-12-23-17/h3-9,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide?
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide has a molecular weight of 338.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 27863638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).