[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate

C20H23NO3 — CID 95181161

IUPAC[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-4-16-7-11-18(12-8-16)20(23)24-13-19(22)21-15(3)17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeySLAFVUKMQYCZFR-HNNXBMFYSA-N
MW325.41 g/mol
LogP3.59
Rot. Bonds6

About [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate

[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate (PubChem CID 95181161) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
PubChem CID95181161
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-4-16-7-11-18(12-8-16)20(23)24-13-19(22)21-15(3)17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeySLAFVUKMQYCZFR-HNNXBMFYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 50929640
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-butoxybenzoate
CID 50929534
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662901
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 95181082

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate (CID 95181161) is [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is SLAFVUKMQYCZFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-16-7-11-18(12-8-16)20(23)24-13-19(22)21-15(3)17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate?
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 95181161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).