(4-acetamidophenyl) 3-phenylmethoxypropanoate

C18H19NO4 — CID 60546332

IUPAC(4-acetamidophenyl) 3-phenylmethoxypropanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCOCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-14(20)19-16-7-9-17(10-8-16)23-18(21)11-12-22-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyXQRFLYPPJBZPGD-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.16
Rot. Bonds7

About (4-acetamidophenyl) 3-phenylmethoxypropanoate

(4-acetamidophenyl) 3-phenylmethoxypropanoate (PubChem CID 60546332) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-phenylmethoxypropanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-phenylmethoxypropanoate
PubChem CID60546332
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(4-acetamidophenyl) 3-phenylmethoxypropanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCOCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-14(20)19-16-7-9-17(10-8-16)23-18(21)11-12-22-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyXQRFLYPPJBZPGD-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-acetamidophenyl) 3-phenylmethoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 137492102
bis(4-acetamidophenyl) propanedioate
CID 58435595
methyl 3-[[4-[(3-methoxy-3-oxopropoxy)methyl]phenyl]methoxy]propanoate
CID 142715469
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
CID 102603587
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
5-(4-acetamidophenoxy)-2-formamido-5-oxopentanoic acid
CID 89168190
methyl 8-phenylmethoxyoctanoate
CID 562206
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-phenylmethoxypropanoate?
The IUPAC name of (4-acetamidophenyl) 3-phenylmethoxypropanoate (CID 60546332) is (4-acetamidophenyl) 3-phenylmethoxypropanoate.
What is the SMILES notation for (4-acetamidophenyl) 3-phenylmethoxypropanoate?
The canonical SMILES for (4-acetamidophenyl) 3-phenylmethoxypropanoate is CC(=O)Nc1ccc(OC(=O)CCOCc2ccccc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-phenylmethoxypropanoate?
The InChIKey is XQRFLYPPJBZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-14(20)19-16-7-9-17(10-8-16)23-18(21)11-12-22-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of (4-acetamidophenyl) 3-phenylmethoxypropanoate?
(4-acetamidophenyl) 3-phenylmethoxypropanoate has a molecular weight of 313.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-phenylmethoxypropanoate is sourced from PubChem (CID 60546332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).