[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate

C19H21NO6 — CID 55418713

IUPAC[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)c1cccc(OC)c1O
InChIInChI=1S/C19H21NO6/c1-11-8-9-15(24-3)14(10-11)20-18(22)12(2)26-19(23)13-6-5-7-16(25-4)17(13)21/h5-10,12,21H,1-4H3,(H,20,22)
InChIKeyMVHWFLNUQKGSAE-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds6

About [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate

[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate (PubChem CID 55418713) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
PubChem CID55418713
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)c1cccc(OC)c1O
InChIInChI=1S/C19H21NO6/c1-11-8-9-15(24-3)14(10-11)20-18(22)12(2)26-19(23)13-6-5-7-16(25-4)17(13)21/h5-10,12,21H,1-4H3,(H,20,22)
InChIKeyMVHWFLNUQKGSAE-UHFFFAOYSA-N
XLogP2.90
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 41103066
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958751
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738415
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938821
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11938822
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 43014307
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2506054
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 8814101
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975987
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 40812049
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993770
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate (CID 55418713) is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate is COc1ccc(C)cc1NC(=O)C(C)OC(=O)c1cccc(OC)c1O.
What is the InChIKey of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is MVHWFLNUQKGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-8-9-15(24-3)14(10-11)20-18(22)12(2)26-19(23)13-6-5-7-16(25-4)17(13)21/h5-10,12,21H,1-4H3,(H,20,22).
What are the key properties of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate?
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 359.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 55418713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).