N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C19H18N4O4 — CID 1417347

IUPACN-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O4/c1-27-13-8-6-12(7-9-13)10-16(24)20-11-17(25)22-23-18-14-4-2-3-5-15(14)21-19(18)26/h2-9,21,26H,10-11H2,1H3,(H,20,24)/b23-22+
InChIKeyXITZTYVCUWFNOZ-GHVJWSGMSA-N
MW366.38 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 1417347) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID1417347
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O4/c1-27-13-8-6-12(7-9-13)10-16(24)20-11-17(25)22-23-18-14-4-2-3-5-15(14)21-19(18)26/h2-9,21,26H,10-11H2,1H3,(H,20,24)/b23-22+
InChIKeyXITZTYVCUWFNOZ-GHVJWSGMSA-N
XLogP2.85
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 1417347) is N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is XITZTYVCUWFNOZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-27-13-8-6-12(7-9-13)10-16(24)20-11-17(25)22-23-18-14-4-2-3-5-15(14)21-19(18)26/h2-9,21,26H,10-11H2,1H3,(H,20,24)/b23-22+.
What are the key properties of N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1417347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).