[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C21H24N2O6 — CID 7884502

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O6/c1-14(15-7-5-4-6-8-15)23-19(24)13-29-20(25)12-22-21(26)16-9-17(27-2)11-18(10-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyIUJJDKPVXWDDKW-CQSZACIVSA-N
MW400.43 g/mol
LogP1.85
Rot. Bonds9

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 7884502) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID7884502
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O6/c1-14(15-7-5-4-6-8-15)23-19(24)13-29-20(25)12-22-21(26)16-9-17(27-2)11-18(10-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyIUJJDKPVXWDDKW-CQSZACIVSA-N
XLogP1.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831
[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-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 8574391
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8943675
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 41133821
3,5-dimethoxy-N-[(E)-[4-oxo-4-(1-phenylethylamino)butan-2-ylidene]amino]benzamide
CID 46501874
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 7884502) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is IUJJDKPVXWDDKW-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-14(15-7-5-4-6-8-15)23-19(24)13-29-20(25)12-22-21(26)16-9-17(27-2)11-18(10-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 400.43 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).