methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate

C18H18N2O5 — CID 7667506

IUPACmethyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-11(25-15-9-5-13(6-10-15)18(23)24-2)17(22)20-14-7-3-12(4-8-14)16(19)21/h3-11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m0/s1
InChIKeyJOFNIWNHFGUAGG-NSHDSACASA-N
MW342.35 g/mol
LogP1.98
Rot. Bonds6

About methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 7667506) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID7667506
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-11(25-15-9-5-13(6-10-15)18(23)24-2)17(22)20-14-7-3-12(4-8-14)16(19)21/h3-11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m0/s1
InChIKeyJOFNIWNHFGUAGG-NSHDSACASA-N
XLogP1.98
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7210477
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate (CID 7667506) is methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is JOFNIWNHFGUAGG-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(25-15-9-5-13(6-10-15)18(23)24-2)17(22)20-14-7-3-12(4-8-14)16(19)21/h3-11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m0/s1.
What are the key properties of methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 342.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 7667506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).