N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide

C19H20N2O3 — CID 31995785

IUPACN-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(OCC#N)cc2)c1C
InChIInChI=1S/C19H20N2O3/c1-14-4-3-5-18(15(14)2)24-12-10-19(22)21-16-6-8-17(9-7-16)23-13-11-20/h3-9H,10,12-13H2,1-2H3,(H,21,22)
InChIKeyJZMNJIQGGHCXTK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.61
Rot. Bonds7

About N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide

N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 31995785) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
PubChem CID31995785
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(OCC#N)cc2)c1C
InChIInChI=1S/C19H20N2O3/c1-14-4-3-5-18(15(14)2)24-12-10-19(22)21-16-6-8-17(9-7-16)23-13-11-20/h3-9H,10,12-13H2,1-2H3,(H,21,22)
InChIKeyJZMNJIQGGHCXTK-UHFFFAOYSA-N
XLogP3.61
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982132
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
CID 119421764
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982131
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119421763
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide (CID 31995785) is N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(OCC#N)cc2)c1C.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is JZMNJIQGGHCXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-4-3-5-18(15(14)2)24-12-10-19(22)21-16-6-8-17(9-7-16)23-13-11-20/h3-9H,10,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide?
N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 31995785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).