N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide

C21H16N2O3 — CID 38899195

IUPACN-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H16N2O3/c22-12-13-23(17-7-2-1-3-8-17)21(25)15-26-20-11-10-16-6-4-5-9-18(16)19(20)14-24/h1-11,14H,13,15H2
InChIKeyOZRWPWZLXFRPCI-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.59
Rot. Bonds6

About N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide

N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide (PubChem CID 38899195) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
PubChem CID38899195
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H16N2O3/c22-12-13-23(17-7-2-1-3-8-17)21(25)15-26-20-11-10-16-6-4-5-9-18(16)19(20)14-24/h1-11,14H,13,15H2
InChIKeyOZRWPWZLXFRPCI-UHFFFAOYSA-N
XLogP3.59
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
CID 30834008
N-(cyanomethyl)-2-(2-formyl-4-nitrophenoxy)-N-phenylacetamide
CID 38925953
N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 52569965
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
CID 43015910
2-naphthalen-1-yloxy-N-phenyl-N-prop-2-enylacetamide
CID 112795612
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
N-(cyanomethyl)-2-(4-methyl-2-nitrophenoxy)-N-phenylacetamide
CID 8564308
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
5,7-dichloro-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 87415811
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide (CID 38899195) is N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide is N#CCN(C(=O)COc1ccc2ccccc2c1C=O)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide?
The InChIKey is OZRWPWZLXFRPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c22-12-13-23(17-7-2-1-3-8-17)21(25)15-26-20-11-10-16-6-4-5-9-18(16)19(20)14-24/h1-11,14H,13,15H2.
What are the key properties of N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide?
N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide has a molecular weight of 344.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 38899195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).