(2-acetamido-6-phenoxyphenyl) butanoate

C18H19NO4 — CID 175184242

IUPAC(2-acetamido-6-phenoxyphenyl) butanoate
SMILESCCCC(=O)Oc1c(NC(C)=O)cccc1Oc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-8-17(21)23-18-15(19-13(2)20)11-7-12-16(18)22-14-9-5-4-6-10-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,20)
InChIKeyHATYGXUDRJROSM-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.14
Rot. Bonds6

About (2-acetamido-6-phenoxyphenyl) butanoate

(2-acetamido-6-phenoxyphenyl) butanoate (PubChem CID 175184242) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-acetamido-6-phenoxyphenyl) butanoate.

Molecular Properties

Compound Name(2-acetamido-6-phenoxyphenyl) butanoate
PubChem CID175184242
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-acetamido-6-phenoxyphenyl) butanoate
SMILESCCCC(=O)Oc1c(NC(C)=O)cccc1Oc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-8-17(21)23-18-15(19-13(2)20)11-7-12-16(18)22-14-9-5-4-6-10-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,20)
InChIKeyHATYGXUDRJROSM-UHFFFAOYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.14
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

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenoxyphenyl] propanoate
CID 175485903
[2-(4-aminophenoxy)-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] butanoate
CID 69163314
[2-(4-methylpentanoyloxy)-3-phenoxyphenyl] 4-methylpentanoate
CID 90025074
phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
(2-butanoyloxy-4-phenoxyphenyl) butanoate
CID 140675552
(4-acetyloxy-2,3-diphenoxynaphthalen-1-yl) pentanoate
CID 23038618
N-(2-phenoxyphenyl)decanamide
CID 4091110
carbonochloridic acid;phenyl butanoate
CID 174739979
phenyl butanoate;phenyl propanoate
CID 139490117
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-6-phenoxyphenyl) butanoate?
The IUPAC name of (2-acetamido-6-phenoxyphenyl) butanoate (CID 175184242) is (2-acetamido-6-phenoxyphenyl) butanoate.
What is the SMILES notation for (2-acetamido-6-phenoxyphenyl) butanoate?
The canonical SMILES for (2-acetamido-6-phenoxyphenyl) butanoate is CCCC(=O)Oc1c(NC(C)=O)cccc1Oc1ccccc1.
What is the InChIKey of (2-acetamido-6-phenoxyphenyl) butanoate?
The InChIKey is HATYGXUDRJROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-8-17(21)23-18-15(19-13(2)20)11-7-12-16(18)22-14-9-5-4-6-10-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,20).
What are the key properties of (2-acetamido-6-phenoxyphenyl) butanoate?
(2-acetamido-6-phenoxyphenyl) butanoate has a molecular weight of 313.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-6-phenoxyphenyl) butanoate is sourced from PubChem (CID 175184242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).