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

C21H24N2O3 — CID 22685010

IUPAC2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCCc2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-25-19-10-9-18(12-14-23-21(24)11-13-22)20(16-19)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-12,14-15H2,1H3,(H,23,24)
InChIKeyILTVSDJSLUTWTC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds10

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

2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide (PubChem CID 22685010) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
PubChem CID22685010
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCCc2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-25-19-10-9-18(12-14-23-21(24)11-13-22)20(16-19)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-12,14-15H2,1H3,(H,23,24)
InChIKeyILTVSDJSLUTWTC-UHFFFAOYSA-N
XLogP3.28
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
CID 22684460
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide (CID 22685010) is 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide is COc1ccc(CCNC(=O)CC#N)c(OCCCc2ccccc2)c1.
What is the InChIKey of 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is ILTVSDJSLUTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-10-9-18(12-14-23-21(24)11-13-22)20(16-19)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-12,14-15H2,1H3,(H,23,24).
What are the key properties of 2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide?
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.28, 10 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-2-(3-phenylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 22685010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).