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

C19H20N2O4 — CID 2367537

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(15-8-4-2-5-9-15)21-17(22)13-25-18(23)12-20-19(24)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJTZNSJQQMKOAMG-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.84
Rot. Bonds7

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

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate (PubChem CID 2367537) 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] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
PubChem CID2367537
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(15-8-4-2-5-9-15)21-17(22)13-25-18(23)12-20-19(24)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJTZNSJQQMKOAMG-AWEZNQCLSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364158
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884968
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate (CID 2367537) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate is C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate?
The InChIKey is JTZNSJQQMKOAMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(15-8-4-2-5-9-15)21-17(22)13-25-18(23)12-20-19(24)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate has a molecular weight of 340.38 g/mol, XLogP of 1.84, 7 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] 2-benzamidoacetate is sourced from PubChem (CID 2367537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).