2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide

C19H22N2O2 — CID 20992669

IUPAC2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCCCOc1ccc2ccccc2c1CNC(=O)CC#N
InChIInChI=1S/C19H22N2O2/c1-2-3-6-13-23-18-10-9-15-7-4-5-8-16(15)17(18)14-21-19(22)11-12-20/h4-5,7-10H,2-3,6,11,13-14H2,1H3,(H,21,22)
InChIKeyKCDYKVZVLLKWKW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds8

About 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide

2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide (PubChem CID 20992669) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
PubChem CID20992669
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCCCOc1ccc2ccccc2c1CNC(=O)CC#N
InChIInChI=1S/C19H22N2O2/c1-2-3-6-13-23-18-10-9-15-7-4-5-8-16(15)17(18)14-21-19(22)11-12-20/h4-5,7-10H,2-3,6,11,13-14H2,1H3,(H,21,22)
InChIKeyKCDYKVZVLLKWKW-UHFFFAOYSA-N
XLogP3.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
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-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid
CID 54846808
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
CID 20988373
2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22684476
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide (CID 20992669) is 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide is CCCCCOc1ccc2ccccc2c1CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is KCDYKVZVLLKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-6-13-23-18-10-9-15-7-4-5-8-16(15)17(18)14-21-19(22)11-12-20/h4-5,7-10H,2-3,6,11,13-14H2,1H3,(H,21,22).
What are the key properties of 2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide?
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.94, 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-pentoxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 20992669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).