(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide

C21H19NO3 — CID 9415213

IUPAC(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Oc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-22(2)21(24)20(16-9-4-3-5-10-16)25-19-13-12-15-8-6-7-11-17(15)18(19)14-23/h3-14,20H,1-2H3/t20-/m1/s1
InChIKeyDUEMBDVCAWUMBH-HXUWFJFHSA-N
MW333.39 g/mol
LogP3.86
Rot. Bonds5

About (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide

(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide (PubChem CID 9415213) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
PubChem CID9415213
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Oc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-22(2)21(24)20(16-9-4-3-5-10-16)25-19-13-12-15-8-6-7-11-17(15)18(19)14-23/h3-14,20H,1-2H3/t20-/m1/s1
InChIKeyDUEMBDVCAWUMBH-HXUWFJFHSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.86
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

2-(1-formylnaphthalen-2-yl)oxybutanamide
CID 62901202
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763312
2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride
CID 154151548

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide (CID 9415213) is (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@H](Oc1ccc2ccccc2c1C=O)c1ccccc1.
What is the InChIKey of (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The InChIKey is DUEMBDVCAWUMBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19NO3/c1-22(2)21(24)20(16-9-4-3-5-10-16)25-19-13-12-15-8-6-7-11-17(15)18(19)14-23/h3-14,20H,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide?
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide has a molecular weight of 333.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 9415213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).