2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide

C20H24N4O4 — CID 152776775

IUPAC2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(CCN)cc1/N=N/C(C(=O)Nc1ccccc1OC)=C(C)O
InChIInChI=1S/C20H24N4O4/c1-13(25)19(20(26)22-15-6-4-5-7-17(15)27-2)24-23-16-12-14(10-11-21)8-9-18(16)28-3/h4-9,12,25H,10-11,21H2,1-3H3,(H,22,26)/b19-13?,24-23+
InChIKeyDWDJAIQVOFKUBB-JQQPTBOUSA-N
MW384.44 g/mol
LogP3.72
Rot. Bonds8

About 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide

2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide (PubChem CID 152776775) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
PubChem CID152776775
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(CCN)cc1/N=N/C(C(=O)Nc1ccccc1OC)=C(C)O
InChIInChI=1S/C20H24N4O4/c1-13(25)19(20(26)22-15-6-4-5-7-17(15)27-2)24-23-16-12-14(10-11-21)8-9-18(16)28-3/h4-9,12,25H,10-11,21H2,1-3H3,(H,22,26)/b19-13?,24-23+
InChIKeyDWDJAIQVOFKUBB-JQQPTBOUSA-N
XLogP3.72
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[3-hydroxy-1-(2-methoxyanilino)-1-oxobut-2-en-2-yl]diazenyl]benzoic acid
CID 147181871
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
dimethyl 2-[[3-hydroxy-1-[2-(2-hydroxyethoxy)anilino]-1-oxobut-2-en-2-yl]diazenyl]benzene-1,4-dicarboxylate
CID 152774541
hydroperoxy 2-[4-[[3-hydroxy-1-(2-methoxyanilino)-1-oxobut-2-en-2-yl]diazenyl]phenyl]sulfonylethanesulfinate
CID 158434159
ethyl (Z)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)diazenyl]but-2-enoate
CID 135452107
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
[4-(2-aminoethyl)-2-methoxyphenyl] benzoate
CID 14622436
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
(E)-2-(ethanethioyliminomethyl)-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
CID 137265814
(E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide
CID 135675592
(Z)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide
CID 135815638

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide?
The IUPAC name of 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide (CID 152776775) is 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide?
The canonical SMILES for 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide is COc1ccc(CCN)cc1/N=N/C(C(=O)Nc1ccccc1OC)=C(C)O.
What is the InChIKey of 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide?
The InChIKey is DWDJAIQVOFKUBB-JQQPTBOUSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(25)19(20(26)22-15-6-4-5-7-17(15)27-2)24-23-16-12-14(10-11-21)8-9-18(16)28-3/h4-9,12,25H,10-11,21H2,1-3H3,(H,22,26)/b19-13?,24-23+.
What are the key properties of 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide?
2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 152776775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).