[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium

C19H25N4O6+ — CID 140774809

IUPAC[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium
SMILESCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CO
InChIInChI=1S/C19H24N4O6/c1-26-15-6-5-11(7-14(15)21-19(25)13(20)10-24)22-23-12-8-16(27-2)18(29-4)17(9-12)28-3/h5-9,13,24H,10,20H2,1-4H3,(H,21,25)/p+1/b23-22+/t13-/m0/s1
InChIKeyOMGAQDRLMBSSCA-URHHSZMMSA-O
MW405.43 g/mol
LogP1.68
Rot. Bonds9

About [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium

[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium (PubChem CID 140774809) has the molecular formula C19H25N4O6+ and a molecular weight of 405.43 g/mol. Its IUPAC name is [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium
PubChem CID140774809
Molecular FormulaC19H25N4O6+
Molecular Weight405.43 g/mol
Exact Mass405.18
IUPAC Name[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium
SMILESCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CO
InChIInChI=1S/C19H24N4O6/c1-26-15-6-5-11(7-14(15)21-19(25)13(20)10-24)22-23-12-8-16(27-2)18(29-4)17(9-12)28-3/h5-9,13,24H,10,20H2,1-4H3,(H,21,25)/p+1/b23-22+/t13-/m0/s1
InChIKeyOMGAQDRLMBSSCA-URHHSZMMSA-O
XLogP1.68
TPSA138.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-hydroxy-1-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 135019706
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484582
[3-(4-hydroxyphenyl)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 59430136
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenyl]propanamide
CID 45487092
[5-(diaminomethylideneamino)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopentan-2-yl]azanium chloride
CID 87207885
[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87103618
[3-carboxy-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58066530
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-amino-N-[5-[2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-hydroxypropanamide
CID 69348706
[(2R)-4-carboxy-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-1-oxobutan-2-yl]azanium chloride
CID 158821119

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium (CID 140774809) is [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium is COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CO.
What is the InChIKey of [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium?
The InChIKey is OMGAQDRLMBSSCA-URHHSZMMSA-O. The full InChI is InChI=1S/C19H24N4O6/c1-26-15-6-5-11(7-14(15)21-19(25)13(20)10-24)22-23-12-8-16(27-2)18(29-4)17(9-12)28-3/h5-9,13,24H,10,20H2,1-4H3,(H,21,25)/p+1/b23-22+/t13-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium?
[(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium has a molecular weight of 405.43 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-1-[2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]anilino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 140774809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).