N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide

C19H19ClN2O3 — CID 20988423

IUPACN-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN2O3/c1-24-17-6-5-15(8-10-22-19(23)7-9-21)18(12-17)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-8,10,13H2,1H3,(H,22,23)
InChIKeyLCRKOEXISIOSIP-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.50
Rot. Bonds8

About N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide

N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide (PubChem CID 20988423) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
PubChem CID20988423
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN2O3/c1-24-17-6-5-15(8-10-22-19(23)7-9-21)18(12-17)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-8,10,13H2,1H3,(H,22,23)
InChIKeyLCRKOEXISIOSIP-UHFFFAOYSA-N
XLogP3.50
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20990085
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
4-[2-[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid
CID 22681232
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide (CID 20988423) is N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide is COc1ccc(CCNC(=O)CC#N)c(OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide?
The InChIKey is LCRKOEXISIOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-24-17-6-5-15(8-10-22-19(23)7-9-21)18(12-17)25-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-8,10,13H2,1H3,(H,22,23).
What are the key properties of N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide?
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide has a molecular weight of 358.83 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide is sourced from PubChem (CID 20988423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).