N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide

C19H22ClNO3 — CID 20679534

IUPACN-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide
SMILESCCc1ccc(Oc2cc(NC(=O)C(C)C)c(O)c(Cl)c2C)cc1
InChIInChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)24-16-10-15(21-19(23)11(2)3)18(22)17(20)12(16)4/h6-11,22H,5H2,1-4H3,(H,21,23)
InChIKeyGTFJBDSWTSAZIZ-UHFFFAOYSA-N
MW347.84 g/mol
LogP5.30
Rot. Bonds5

About N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide

N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide (PubChem CID 20679534) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide
PubChem CID20679534
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide
SMILESCCc1ccc(Oc2cc(NC(=O)C(C)C)c(O)c(Cl)c2C)cc1
InChIInChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)24-16-10-15(21-19(23)11(2)3)18(22)17(20)12(16)4/h6-11,22H,5H2,1-4H3,(H,21,23)
InChIKeyGTFJBDSWTSAZIZ-UHFFFAOYSA-N
XLogP5.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.84
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide (CID 20679534) is N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide is CCc1ccc(Oc2cc(NC(=O)C(C)C)c(O)c(Cl)c2C)cc1.
What is the InChIKey of N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide?
The InChIKey is GTFJBDSWTSAZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)24-16-10-15(21-19(23)11(2)3)18(22)17(20)12(16)4/h6-11,22H,5H2,1-4H3,(H,21,23).
What are the key properties of N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide?
N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(4-ethylphenoxy)-2-hydroxy-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 20679534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).