[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate

C19H20N2O4 — CID 7654320

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-18(23)12-25-19(24)16-8-10-17(11-9-16)21-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyOJKFYONUBVDEBI-ZDUSSCGKSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds6

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate (PubChem CID 7654320) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
PubChem CID7654320
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-18(23)12-25-19(24)16-8-10-17(11-9-16)21-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyOJKFYONUBVDEBI-ZDUSSCGKSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate with MolForge

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654378
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7949746
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-acetamidobenzoate
CID 9016060
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949759
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949758

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate (CID 7654320) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate?
The InChIKey is OJKFYONUBVDEBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-18(23)12-25-19(24)16-8-10-17(11-9-16)21-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7654320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).