2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

C19H22N6O2 — CID 3627261

IUPAC2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)Cn2nnc3ccccc32)c(O)c1
InChIInChI=1S/C19H22N6O2/c1-3-24(4-2)15-10-9-14(18(26)11-15)12-20-22-19(27)13-25-17-8-6-5-7-16(17)21-23-25/h5-12,26H,3-4,13H2,1-2H3,(H,22,27)
InChIKeyQPKTYNQGTIYCMF-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.13
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 3627261) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID3627261
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)Cn2nnc3ccccc32)c(O)c1
InChIInChI=1S/C19H22N6O2/c1-3-24(4-2)15-10-9-14(18(26)11-15)12-20-22-19(27)13-25-17-8-6-5-7-16(17)21-23-25/h5-12,26H,3-4,13H2,1-2H3,(H,22,27)
InChIKeyQPKTYNQGTIYCMF-UHFFFAOYSA-N
XLogP2.13
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 3627261) is 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(C=NNC(=O)Cn2nnc3ccccc32)c(O)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is QPKTYNQGTIYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-24(4-2)15-10-9-14(18(26)11-15)12-20-22-19(27)13-25-17-8-6-5-7-16(17)21-23-25/h5-12,26H,3-4,13H2,1-2H3,(H,22,27).
What are the key properties of 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 3627261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).