[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate

C20H24N2O3 — CID 7857667

IUPAC[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)15(3)21-19(23)13-25-20(24)17-11-7-8-12-18(17)22-16-9-5-4-6-10-16/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyQFVFJSLDJZLNSC-OAHLLOKOSA-N
MW340.42 g/mol
LogP3.75
Rot. Bonds7

About [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate (PubChem CID 7857667) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
PubChem CID7857667
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)15(3)21-19(23)13-25-20(24)17-11-7-8-12-18(17)22-16-9-5-4-6-10-16/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyQFVFJSLDJZLNSC-OAHLLOKOSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate with MolForge

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2652492
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-nitrobenzoate
CID 2640236
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
CID 4063744
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 42976669

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate (CID 7857667) is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate is CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is QFVFJSLDJZLNSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)15(3)21-19(23)13-25-20(24)17-11-7-8-12-18(17)22-16-9-5-4-6-10-16/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate?
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 340.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 7857667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).