2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide

C23H22N2O2 — CID 22686205

IUPAC2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
SMILESN#CCC(=O)NCc1c(OCCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C23H22N2O2/c24-15-14-23(26)25-17-21-20-11-5-4-10-19(20)12-13-22(21)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13H,6,9,14,16-17H2,(H,25,26)
InChIKeyZNDSHGRZYMCUDP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.38
Rot. Bonds8

About 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide

2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide (PubChem CID 22686205) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
PubChem CID22686205
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
SMILESN#CCC(=O)NCc1c(OCCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C23H22N2O2/c24-15-14-23(26)25-17-21-20-11-5-4-10-19(20)12-13-22(21)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13H,6,9,14,16-17H2,(H,25,26)
InChIKeyZNDSHGRZYMCUDP-UHFFFAOYSA-N
XLogP4.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
CID 20988373
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
4-oxo-4-[[2-(2-phenoxyethoxy)naphthalen-1-yl]methylamino]butanoic acid
CID 22687298

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide (CID 22686205) is 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide is N#CCC(=O)NCc1c(OCCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide?
The InChIKey is ZNDSHGRZYMCUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c24-15-14-23(26)25-17-21-20-11-5-4-10-19(20)12-13-22(21)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13H,6,9,14,16-17H2,(H,25,26).
What are the key properties of 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide?
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 22686205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).