(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide

C20H17NO3 — CID 7762913

IUPAC(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c1-14(24-19-9-5-4-8-17(19)13-22)20(23)21-18-11-10-15-6-2-3-7-16(15)12-18/h2-14H,1H3,(H,21,23)/t14-/m0/s1
InChIKeyFZPXRMGQDLOJJK-AWEZNQCLSA-N
MW319.36 g/mol
LogP4.06
Rot. Bonds5

About (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide

(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide (PubChem CID 7762913) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
PubChem CID7762913
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c1-14(24-19-9-5-4-8-17(19)13-22)20(23)21-18-11-10-15-6-2-3-7-16(15)12-18/h2-14H,1H3,(H,21,23)/t14-/m0/s1
InChIKeyFZPXRMGQDLOJJK-AWEZNQCLSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.06
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

(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-formylphenoxy)propanamide
CID 7762815
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762826
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966531
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide (CID 7762913) is (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide is C[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide?
The InChIKey is FZPXRMGQDLOJJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14(24-19-9-5-4-8-17(19)13-22)20(23)21-18-11-10-15-6-2-3-7-16(15)12-18/h2-14H,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide?
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide has a molecular weight of 319.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 7762913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).