methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate

C17H19N3O4 — CID 143255228

IUPACmethyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(N)c1ccccc1Oc1ccc(C)cc1O
InChIInChI=1S/C17H19N3O4/c1-11-7-8-16(14(21)9-11)24-15-6-4-3-5-13(15)20(19)10-12(18)17(22)23-2/h3-10,21H,18-19H2,1-2H3/b12-10-
InChIKeyUGXYTPYNWLATGA-BENRWUELSA-N
MW329.36 g/mol
LogP2.15
Rot. Bonds5

About methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate

methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate (PubChem CID 143255228) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
PubChem CID143255228
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Namemethyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(N)c1ccccc1Oc1ccc(C)cc1O
InChIInChI=1S/C17H19N3O4/c1-11-7-8-16(14(21)9-11)24-15-6-4-3-5-13(15)20(19)10-12(18)17(22)23-2/h3-10,21H,18-19H2,1-2H3/b12-10-
InChIKeyUGXYTPYNWLATGA-BENRWUELSA-N
XLogP2.15
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332094
2-(2,4-dimethylphenoxy)phenol
CID 91665530
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
2-(2-hydroxy-5-methylphenoxy)benzoic acid
CID 14221471
(2-hydroxy-4-methylphenyl) formate
CID 58909986
benzoic acid;(2-hydroxy-4-methylphenyl) prop-2-enoate
CID 174882954
4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide
CID 23383018
2-aminooxy-5-methylphenol;ethane
CID 144810580
2-[2-(3-hydroxy-5-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332109
N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
CID 107929518
N'-(5-methyl-2-phenoxyphenyl)propanediamide
CID 155950996
3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
CID 143255236

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate (CID 143255228) is methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate is COC(=O)/C(N)=C/N(N)c1ccccc1Oc1ccc(C)cc1O.
What is the InChIKey of methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate?
The InChIKey is UGXYTPYNWLATGA-BENRWUELSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-7-8-16(14(21)9-11)24-15-6-4-3-5-13(15)20(19)10-12(18)17(22)23-2/h3-10,21H,18-19H2,1-2H3/b12-10-.
What are the key properties of methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate?
methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate has a molecular weight of 329.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate is sourced from PubChem (CID 143255228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).