[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate

C19H21NO3 — CID 902764

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H21NO3/c1-3-14-9-11-15(12-10-14)18(21)13-23-19(22)16-7-5-6-8-17(16)20-4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyCVDTVSAMTFITNJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.72
Rot. Bonds7

About [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate

[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate (PubChem CID 902764) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
PubChem CID902764
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H21NO3/c1-3-14-9-11-15(12-10-14)18(21)13-23-19(22)16-7-5-6-8-17(16)20-4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyCVDTVSAMTFITNJ-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224156
[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 955166
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261
[2-(4-ethylphenyl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228493
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
[2-(4-butylphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18104068
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4844062
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate (CID 902764) is [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate is CCNc1ccccc1C(=O)OCC(=O)c1ccc(CC)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate?
The InChIKey is CVDTVSAMTFITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-14-9-11-15(12-10-14)18(21)13-23-19(22)16-7-5-6-8-17(16)20-4-2/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate is sourced from PubChem (CID 902764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).