N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide

C21H20N2O3 — CID 21325

IUPACN-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccccc1CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyHNLJTZUJURZMTN-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide

N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 21325) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID21325
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccccc1CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyHNLJTZUJURZMTN-UHFFFAOYSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide (CID 21325) is N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide is CC(=O)Nc1ccccc1CCNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is HNLJTZUJURZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide?
N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 21325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).