2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide

C19H20N2O3 — CID 22679906

IUPAC2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)cc1OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-23-17-8-7-15(10-12-21-19(22)9-11-20)13-18(17)24-14-16-5-3-2-4-6-16/h2-8,13H,9-10,12,14H2,1H3,(H,21,22)
InChIKeyPKCJMJLBWMMVEJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds8

About 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide

2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide (PubChem CID 22679906) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
PubChem CID22679906
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)cc1OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-23-17-8-7-15(10-12-21-19(22)9-11-20)13-18(17)24-14-16-5-3-2-4-6-16/h2-8,13H,9-10,12,14H2,1H3,(H,21,22)
InChIKeyPKCJMJLBWMMVEJ-UHFFFAOYSA-N
XLogP2.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
CID 20991177
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
2-cyano-N-[2-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20987479
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide
CID 137465652

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide (CID 22679906) is 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CC#N)cc1OCc1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The InChIKey is PKCJMJLBWMMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-8-7-15(10-12-21-19(22)9-11-20)13-18(17)24-14-16-5-3-2-4-6-16/h2-8,13H,9-10,12,14H2,1H3,(H,21,22).
What are the key properties of 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide?
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).