N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide

C20H20N2O2 — CID 71453574

IUPACN-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)NCc1cccc2ccccc12
InChIInChI=1S/C20H20N2O2/c23-20(22-24)19(13-15-7-2-1-3-8-15)21-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19,21,24H,13-14H2,(H,22,23)
InChIKeyCVGWYUJDRBFDNH-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.05
Rot. Bonds6

About N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide

N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide (PubChem CID 71453574) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide
PubChem CID71453574
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)NCc1cccc2ccccc12
InChIInChI=1S/C20H20N2O2/c23-20(22-24)19(13-15-7-2-1-3-8-15)21-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19,21,24H,13-14H2,(H,22,23)
InChIKeyCVGWYUJDRBFDNH-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide (CID 71453574) is N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)NCc1cccc2ccccc12.
What is the InChIKey of N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide?
The InChIKey is CVGWYUJDRBFDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(22-24)19(13-15-7-2-1-3-8-15)21-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19,21,24H,13-14H2,(H,22,23).
What are the key properties of N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide?
N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(naphthalen-1-ylmethylamino)-3-phenylpropanamide is sourced from PubChem (CID 71453574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).