[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C23H28N2O5 — CID 7519378

IUPAC[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCC[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1OCC)c1ccccc1
InChIInChI=1S/C23H28N2O5/c1-3-10-19(17-11-6-5-7-12-17)25-21(26)16-30-22(27)15-24-23(28)18-13-8-9-14-20(18)29-4-2/h5-9,11-14,19H,3-4,10,15-16H2,1-2H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeySHEJSXFORGIVEE-IBGZPJMESA-N
MW412.49 g/mol
LogP3.02
Rot. Bonds11

About [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7519378) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7519378
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCC[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1OCC)c1ccccc1
InChIInChI=1S/C23H28N2O5/c1-3-10-19(17-11-6-5-7-12-17)25-21(26)16-30-22(27)15-24-23(28)18-13-8-9-14-20(18)29-4-2/h5-9,11-14,19H,3-4,10,15-16H2,1-2H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeySHEJSXFORGIVEE-IBGZPJMESA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7522196
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
CID 7519105
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8024516
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807711

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 7519378) is [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCC[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1OCC)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is SHEJSXFORGIVEE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-10-19(17-11-6-5-7-12-17)25-21(26)16-30-22(27)15-24-23(28)18-13-8-9-14-20(18)29-4-2/h5-9,11-14,19H,3-4,10,15-16H2,1-2H3,(H,24,28)(H,25,26)/t19-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 412.49 g/mol, XLogP of 3.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7519378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).