[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C22H26N2O5 — CID 7881831

IUPAC[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)CNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-16-8-10-17(11-9-16)15(2)24-20(25)14-29-21(26)13-23-22(27)18-6-5-7-19(12-18)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1
InChIKeyBLBCEOUFVNBHBB-OAHLLOKOSA-N
MW398.46 g/mol
LogP2.41
Rot. Bonds9

About [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7881831) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7881831
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCCc1ccc([C@@H](C)NC(=O)COC(=O)CNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-16-8-10-17(11-9-16)15(2)24-20(25)14-29-21(26)13-23-22(27)18-6-5-7-19(12-18)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1
InChIKeyBLBCEOUFVNBHBB-OAHLLOKOSA-N
XLogP2.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8943675
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 41133821
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364158
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573952
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882709

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 7881831) is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is CCc1ccc([C@@H](C)NC(=O)COC(=O)CNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is BLBCEOUFVNBHBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-16-8-10-17(11-9-16)15(2)24-20(25)14-29-21(26)13-23-22(27)18-6-5-7-19(12-18)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 398.46 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7881831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).