[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate

C19H20N2O4 — CID 7765209

IUPAC[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C19H20N2O4/c1-11-5-4-6-16(12(11)2)19(24)25-13(3)18(23)21-15-9-7-14(8-10-15)17(20)22/h4-10,13H,1-3H3,(H2,20,22)(H,21,23)/t13-/m0/s1
InChIKeyAJVJLPRIUQRTKP-ZDUSSCGKSA-N
MW340.38 g/mol
LogP2.59
Rot. Bonds5

About [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate (PubChem CID 7765209) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
PubChem CID7765209
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C19H20N2O4/c1-11-5-4-6-16(12(11)2)19(24)25-13(3)18(23)21-15-9-7-14(8-10-15)17(20)22/h4-10,13H,1-3H3,(H2,20,22)(H,21,23)/t13-/m0/s1
InChIKeyAJVJLPRIUQRTKP-ZDUSSCGKSA-N
XLogP2.59
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2534576
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765207
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765177
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7746823
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609616
[(2R)-1-anilino-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 41013414
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916006
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 8857074
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate?
The IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate (CID 7765209) is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate.
What is the SMILES notation for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate?
The canonical SMILES for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate?
The InChIKey is AJVJLPRIUQRTKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-5-4-6-16(12(11)2)19(24)25-13(3)18(23)21-15-9-7-14(8-10-15)17(20)22/h4-10,13H,1-3H3,(H2,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate?
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate is sourced from PubChem (CID 7765209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).