2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide

C19H20N2O3 — CID 51155118

IUPAC2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-14(24-18-10-4-15(12-20)5-11-18)19(22)21(2)13-16-6-8-17(23-3)9-7-16/h4-11,14H,13H2,1-3H3
InChIKeyHRKSZKXAVKQHNR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide

2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 51155118) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID51155118
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-14(24-18-10-4-15(12-20)5-11-18)19(22)21(2)13-16-6-8-17(23-3)9-7-16/h4-11,14H,13H2,1-3H3
InChIKeyHRKSZKXAVKQHNR-UHFFFAOYSA-N
XLogP2.99
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
CID 27863638
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
(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
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
CID 55609402

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide (CID 51155118) is 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is HRKSZKXAVKQHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(24-18-10-4-15(12-20)5-11-18)19(22)21(2)13-16-6-8-17(23-3)9-7-16/h4-11,14H,13H2,1-3H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51155118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).