2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide

C22H26N2O3 — CID 22681411

IUPAC2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCc1ccc(C(C)C)c(OCCOc2ccccc2CNC(=O)CC#N)c1
InChIInChI=1S/C22H26N2O3/c1-16(2)19-9-8-17(3)14-21(19)27-13-12-26-20-7-5-4-6-18(20)15-24-22(25)10-11-23/h4-9,14,16H,10,12-13,15H2,1-3H3,(H,24,25)
InChIKeyJNUPHURWNZDSRG-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.11
Rot. Bonds9

About 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide

2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide (PubChem CID 22681411) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
PubChem CID22681411
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCc1ccc(C(C)C)c(OCCOc2ccccc2CNC(=O)CC#N)c1
InChIInChI=1S/C22H26N2O3/c1-16(2)19-9-8-17(3)14-21(19)27-13-12-26-20-7-5-4-6-18(20)15-24-22(25)10-11-23/h4-9,14,16H,10,12-13,15H2,1-3H3,(H,24,25)
InChIKeyJNUPHURWNZDSRG-UHFFFAOYSA-N
XLogP4.11
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.11
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

N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108923561
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22687439
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide (CID 22681411) is 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide is Cc1ccc(C(C)C)c(OCCOc2ccccc2CNC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide?
The InChIKey is JNUPHURWNZDSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)19-9-8-17(3)14-21(19)27-13-12-26-20-7-5-4-6-18(20)15-24-22(25)10-11-23/h4-9,14,16H,10,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 22681411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).