[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate

C19H21NO3 — CID 7868318

IUPAC[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-15-9-11-16(12-10-15)14(2)20-18(21)13-23-19(22)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyWYNGFZXQZYSRCI-CQSZACIVSA-N
MW311.38 g/mol
LogP3.28
Rot. Bonds6

About [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate (PubChem CID 7868318) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
PubChem CID7868318
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-15-9-11-16(12-10-15)14(2)20-18(21)13-23-19(22)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyWYNGFZXQZYSRCI-CQSZACIVSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 7749840
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 7749841
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-bromobenzoate
CID 7775245
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662901
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate (CID 7868318) is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate is CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate?
The InChIKey is WYNGFZXQZYSRCI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-15-9-11-16(12-10-15)14(2)20-18(21)13-23-19(22)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate?
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 7868318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).