2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide

C19H20N2O3 — CID 20988878

IUPAC2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC#N)c(OCc2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O3/c1-14-4-3-5-15(10-14)13-24-18-11-17(23-2)7-6-16(18)12-21-19(22)8-9-20/h3-7,10-11H,8,12-13H2,1-2H3,(H,21,22)
InChIKeyQFVBVEYEGISPDQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds7

About 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide

2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide (PubChem CID 20988878) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
PubChem CID20988878
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC#N)c(OCc2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O3/c1-14-4-3-5-15(10-14)13-24-18-11-17(23-2)7-6-16(18)12-21-19(22)8-9-20/h3-7,10-11H,8,12-13H2,1-2H3,(H,21,22)
InChIKeyQFVBVEYEGISPDQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20984569
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide (CID 20988878) is 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide is COc1ccc(CNC(=O)CC#N)c(OCc2cccc(C)c2)c1.
What is the InChIKey of 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide?
The InChIKey is QFVBVEYEGISPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-4-3-5-15(10-14)13-24-18-11-17(23-2)7-6-16(18)12-21-19(22)8-9-20/h3-7,10-11H,8,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide?
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20988878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).