2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C23H23NO3 — CID 7763232

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)COc1ccc2ccccc2c1C=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO3/c1-3-21(18-10-8-16(2)9-11-18)24-23(26)15-27-22-13-12-17-6-4-5-7-19(17)20(22)14-25/h4-14,21H,3,15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyAUELVAGUEJJKQP-OAQYLSRUSA-N
MW361.44 g/mol
LogP4.61
Rot. Bonds7

About 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 7763232) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID7763232
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)COc1ccc2ccccc2c1C=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO3/c1-3-21(18-10-8-16(2)9-11-18)24-23(26)15-27-22-13-12-17-6-4-5-7-19(17)20(22)14-25/h4-14,21H,3,15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyAUELVAGUEJJKQP-OAQYLSRUSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 17328368
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812584
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697847

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 7763232) is 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)COc1ccc2ccccc2c1C=O)c1ccc(C)cc1.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is AUELVAGUEJJKQP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-21(18-10-8-16(2)9-11-18)24-23(26)15-27-22-13-12-17-6-4-5-7-19(17)20(22)14-25/h4-14,21H,3,15H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 7763232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).