2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide

C25H19NO3 — CID 28913283

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
SMILESO=Cc1c(OCC(=O)N(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H19NO3/c27-17-23-22-14-8-7-9-19(22)15-16-24(23)29-18-25(28)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18H2
InChIKeySRMIJWIVNXKWKH-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.40
Rot. Bonds6

About 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide

2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide (PubChem CID 28913283) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
PubChem CID28913283
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
SMILESO=Cc1c(OCC(=O)N(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H19NO3/c27-17-23-22-14-8-7-9-19(22)15-16-24(23)29-18-25(28)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18H2
InChIKeySRMIJWIVNXKWKH-UHFFFAOYSA-N
XLogP5.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
CID 38899195
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 9009870
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide (CID 28913283) is 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide is O=Cc1c(OCC(=O)N(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide?
The InChIKey is SRMIJWIVNXKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c27-17-23-22-14-8-7-9-19(22)15-16-24(23)29-18-25(28)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18H2.
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide?
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide has a molecular weight of 381.43 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide is sourced from PubChem (CID 28913283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).