2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide

C23H28N2O4 — CID 20984190

IUPAC2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C23H28N2O4/c1-17(2)20-6-4-5-7-21(20)28-14-15-29-22-16-19(27-3)9-8-18(22)11-13-25-23(26)10-12-24/h4-9,16-17H,10-11,13-15H2,1-3H3,(H,25,26)
InChIKeyFJSKIMFTCMOQMR-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.85
Rot. Bonds11

About 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide

2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide (PubChem CID 20984190) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
PubChem CID20984190
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C23H28N2O4/c1-17(2)20-6-4-5-7-21(20)28-14-15-29-22-16-19(27-3)9-8-18(22)11-13-25-23(26)10-12-24/h4-9,16-17H,10-11,13-15H2,1-3H3,(H,25,26)
InChIKeyFJSKIMFTCMOQMR-UHFFFAOYSA-N
XLogP3.85
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22681411
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide (CID 20984190) is 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide is COc1ccc(CCNC(=O)CC#N)c(OCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The InChIKey is FJSKIMFTCMOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(2)20-6-4-5-7-21(20)28-14-15-29-22-16-19(27-3)9-8-18(22)11-13-25-23(26)10-12-24/h4-9,16-17H,10-11,13-15H2,1-3H3,(H,25,26).
What are the key properties of 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide?
2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 20984190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).