(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate

C18H19NO4 — CID 8915502

IUPAC(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12-5-4-6-17(11-12)22-13(2)18(21)23-16-9-7-15(8-10-16)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyBLXFGBPGWRXOKZ-CYBMUJFWSA-N
MW313.35 g/mol
LogP3.33
Rot. Bonds5

About (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate

(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate (PubChem CID 8915502) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
PubChem CID8915502
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
SMILESCC(=O)Nc1ccc(OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12-5-4-6-17(11-12)22-13(2)18(21)23-16-9-7-15(8-10-16)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyBLXFGBPGWRXOKZ-CYBMUJFWSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
CID 47024197
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
CID 53265910
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate?
The IUPAC name of (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate (CID 8915502) is (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate is CC(=O)Nc1ccc(OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1.
What is the InChIKey of (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate?
The InChIKey is BLXFGBPGWRXOKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-5-4-6-17(11-12)22-13(2)18(21)23-16-9-7-15(8-10-16)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate?
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate has a molecular weight of 313.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8915502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).