2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide

C23H22N2O2 — CID 20988373

IUPAC2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
SMILESCc1ccccc1COc1ccc2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C23H22N2O2/c1-17-6-2-3-8-19(17)16-27-22-11-10-18-7-4-5-9-20(18)21(22)13-15-25-23(26)12-14-24/h2-11H,12-13,15-16H2,1H3,(H,25,26)
InChIKeyRIDDKDBILUHZQG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.30
Rot. Bonds7

About 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide

2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide (PubChem CID 20988373) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
PubChem CID20988373
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
SMILESCc1ccccc1COc1ccc2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C23H22N2O2/c1-17-6-2-3-8-19(17)16-27-22-11-10-18-7-4-5-9-20(18)21(22)13-15-25-23(26)12-14-24/h2-11H,12-13,15-16H2,1H3,(H,25,26)
InChIKeyRIDDKDBILUHZQG-UHFFFAOYSA-N
XLogP4.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
N-[3-[(2-cyanoacetyl)amino]propyl]-3-(2-methylphenyl)propanamide
CID 108924383
4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid
CID 66528178
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
4-[2-[2-[(2-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20991369
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide (CID 20988373) is 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide is Cc1ccccc1COc1ccc2ccccc2c1CCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide?
The InChIKey is RIDDKDBILUHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-6-2-3-8-19(17)16-27-22-11-10-18-7-4-5-9-20(18)21(22)13-15-25-23(26)12-14-24/h2-11H,12-13,15-16H2,1H3,(H,25,26).
What are the key properties of 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide?
2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 20988373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).