N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide

C21H20N4O4 — CID 137306185

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide
SMILESO=C(CCc1ccc(O)c(/N=N/c2ccccc2)c1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C21H20N4O4/c26-18-8-6-15(14-17(18)24-23-16-4-2-1-3-5-16)7-9-19(27)22-12-13-25-20(28)10-11-21(25)29/h1-6,8,10-11,14,26H,7,9,12-13H2,(H,22,27)/b24-23+
InChIKeyDMZCCXQIZLQEBS-WCWDXBQESA-N
MW392.42 g/mol
LogP2.78
Rot. Bonds8

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide (PubChem CID 137306185) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide
PubChem CID137306185
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide
SMILESO=C(CCc1ccc(O)c(/N=N/c2ccccc2)c1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C21H20N4O4/c26-18-8-6-15(14-17(18)24-23-16-4-2-1-3-5-16)7-9-19(27)22-12-13-25-20(28)10-11-21(25)29/h1-6,8,10-11,14,26H,7,9,12-13H2,(H,22,27)/b24-23+
InChIKeyDMZCCXQIZLQEBS-WCWDXBQESA-N
XLogP2.78
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 175739456
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
CID 166156326
CID 123560915
CID 123560915
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
10-[3-(3,4-dihydroxyphenyl)propanoylamino]decyl-triphenylphosphanium
CID 155518953
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
CID 58473665
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-N,N'-diphenylbutanediamide
CID 71752267
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide (CID 137306185) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide is O=C(CCc1ccc(O)c(/N=N/c2ccccc2)c1)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide?
The InChIKey is DMZCCXQIZLQEBS-WCWDXBQESA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18-8-6-15(14-17(18)24-23-16-4-2-1-3-5-16)7-9-19(27)22-12-13-25-20(28)10-11-21(25)29/h1-6,8,10-11,14,26H,7,9,12-13H2,(H,22,27)/b24-23+.
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide has a molecular weight of 392.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide is sourced from PubChem (CID 137306185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).