ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate

C19H21NO4 — CID 78902194

IUPACethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(14-18(21)23-4-2)19(22)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3
InChIKeyAVIMWXSBDRBHHD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate

ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate (PubChem CID 78902194) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
PubChem CID78902194
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(14-18(21)23-4-2)19(22)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3
InChIKeyAVIMWXSBDRBHHD-UHFFFAOYSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
CID 18837712
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
ethyl 2-[[4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]diazenyl]benzoyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 15885003
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate (CID 78902194) is ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate?
The InChIKey is AVIMWXSBDRBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20(14-18(21)23-4-2)19(22)15-10-12-17(13-11-15)24-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate?
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate has a molecular weight of 327.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 78902194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).