[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

C21H19NO4 — CID 2558660

IUPAC[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C21H19NO4/c1-13-7-10-16(11-8-13)22-20(24)14(2)26-21(25)18-12-9-15-5-3-4-6-17(15)19(18)23/h3-12,14,23H,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeySTDQCCUETYHLKN-CQSZACIVSA-N
MW349.39 g/mol
LogP4.04
Rot. Bonds4

About [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate (PubChem CID 2558660) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
PubChem CID2558660
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C21H19NO4/c1-13-7-10-16(11-8-13)22-20(24)14(2)26-21(25)18-12-9-15-5-3-4-6-17(15)19(18)23/h3-12,14,23H,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeySTDQCCUETYHLKN-CQSZACIVSA-N
XLogP4.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7890854
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468200
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468206
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468232
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786496
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7891029
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567606
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 41103066
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 4613859
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468190
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 8815234

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate (CID 2558660) is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate is Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is STDQCCUETYHLKN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19NO4/c1-13-7-10-16(11-8-13)22-20(24)14(2)26-21(25)18-12-9-15-5-3-4-6-17(15)19(18)23/h3-12,14,23H,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2558660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).