N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide

C19H21N5O3 — CID 90125237

IUPACN-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cn[nH]2)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N5O3/c25-19(13-27-18-3-1-2-17(12-18)24-14-20-22-24)21-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h1-7,12,14,22H,8-11,13H2,(H,21,25)
InChIKeyOZWDQCLNIVNDOO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.05
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide

N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide (PubChem CID 90125237) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
PubChem CID90125237
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cn[nH]2)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N5O3/c25-19(13-27-18-3-1-2-17(12-18)24-14-20-22-24)21-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h1-7,12,14,22H,8-11,13H2,(H,21,25)
InChIKeyOZWDQCLNIVNDOO-UHFFFAOYSA-N
XLogP2.05
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide (CID 90125237) is N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cn[nH]2)c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The InChIKey is OZWDQCLNIVNDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-19(13-27-18-3-1-2-17(12-18)24-14-20-22-24)21-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h1-7,12,14,22H,8-11,13H2,(H,21,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide is sourced from PubChem (CID 90125237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).