2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate

C19H22N2O4 — CID 46610276

IUPAC2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(2)20-19(23)21-17-11-7-6-10-16(17)18(22)25-13-12-24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyDGGUDGTZVKHNEH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.45
Rot. Bonds7

About 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate

2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate (PubChem CID 46610276) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate
PubChem CID46610276
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(2)20-19(23)21-17-11-7-6-10-16(17)18(22)25-13-12-24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyDGGUDGTZVKHNEH-UHFFFAOYSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
CID 17470932
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610260
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55405291
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
CID 108871020
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610007
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46561441
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55404987
2-phenylethyl 2-acetamidobenzoate
CID 150228635
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate?
The IUPAC name of 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate (CID 46610276) is 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate?
The canonical SMILES for 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate is CC(C)NC(=O)Nc1ccccc1C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate?
The InChIKey is DGGUDGTZVKHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)20-19(23)21-17-11-7-6-10-16(17)18(22)25-13-12-24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate?
2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate has a molecular weight of 342.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 46610276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).