[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate

C18H19NO4 — CID 86574466

IUPAC[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C18H19NO4/c1-13-6-5-7-15(12-13)22-11-10-19-18(21)16-8-3-4-9-17(16)23-14(2)20/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyYAZHERQQCDGLGW-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.73
Rot. Bonds6

About [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate

[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate (PubChem CID 86574466) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
PubChem CID86574466
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C18H19NO4/c1-13-6-5-7-15(12-13)22-11-10-19-18(21)16-8-3-4-9-17(16)23-14(2)20/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyYAZHERQQCDGLGW-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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'}

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Related Compounds

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
CID 18282595
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
N-[2-(3-methylphenoxy)ethyl]isoquinoline-4-carboxamide
CID 166186678
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate (CID 86574466) is [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate?
The InChIKey is YAZHERQQCDGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-6-5-7-15(12-13)22-11-10-19-18(21)16-8-3-4-9-17(16)23-14(2)20/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate?
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate has a molecular weight of 313.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 86574466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).