N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide

C30H44N2O2 — CID 20826667

IUPACN-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cccc2c(C(C#N)OCC)cccc12
InChIInChI=1S/C30H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-30(33)32-28-22-18-19-25-26(28)20-17-21-27(25)29(24-31)34-4-2/h17-22,29H,3-16,23H2,1-2H3,(H,32,33)
InChIKeyXPNVCYQQVOJNES-UHFFFAOYSA-N
MW464.69 g/mol
LogP8.86
Rot. Bonds18

About N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide

N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide (PubChem CID 20826667) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide.

Molecular Properties

Compound NameN-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide
PubChem CID20826667
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC NameN-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cccc2c(C(C#N)OCC)cccc12
InChIInChI=1S/C30H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-30(33)32-28-22-18-19-25-26(28)20-17-21-27(25)29(24-31)34-4-2/h17-22,29H,3-16,23H2,1-2H3,(H,32,33)
InChIKeyXPNVCYQQVOJNES-UHFFFAOYSA-N
XLogP8.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 58.86
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

N-naphthalen-1-yldodecanamide
CID 588517
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N-[2,4-dichloro-5-[cyano(isocyano)methyl]phenyl]tetradecanamide
CID 20826650
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-butoxyphenyl)tetradecanamide
CID 54789601

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide?
The IUPAC name of N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide (CID 20826667) is N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide.
What is the SMILES notation for N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide?
The canonical SMILES for N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1cccc2c(C(C#N)OCC)cccc12.
What is the InChIKey of N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide?
The InChIKey is XPNVCYQQVOJNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-30(33)32-28-22-18-19-25-26(28)20-17-21-27(25)29(24-31)34-4-2/h17-22,29H,3-16,23H2,1-2H3,(H,32,33).
What are the key properties of N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide?
N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide has a molecular weight of 464.69 g/mol, XLogP of 8.86, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyano(ethoxy)methyl]naphthalen-1-yl]hexadecanamide is sourced from PubChem (CID 20826667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).