[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate

C21H25NO4 — CID 7855492

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(20(24)22-17-8-6-5-7-9-17)26-19(23)14-25-18-12-10-16(11-13-18)21(2,3)4/h5-13,15H,14H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyBFZHTQRXSQNGAQ-OAHLLOKOSA-N
MW355.43 g/mol
LogP3.93
Rot. Bonds6

About [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate

[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 7855492) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
PubChem CID7855492
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(20(24)22-17-8-6-5-7-9-17)26-19(23)14-25-18-12-10-16(11-13-18)21(2,3)4/h5-13,15H,14H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyBFZHTQRXSQNGAQ-OAHLLOKOSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 18266611
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855941
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855940
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 9328058
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527949
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855516
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(4-tert-butylphenoxy)butanoate
CID 7147575
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate (CID 7855492) is [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate is C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is BFZHTQRXSQNGAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(20(24)22-17-8-6-5-7-9-17)26-19(23)14-25-18-12-10-16(11-13-18)21(2,3)4/h5-13,15H,14H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 7855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).