2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide

C19H21N5O3 — CID 645268

IUPAC2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N5O3/c1-27-12-11-20-18(25)13-23(15-7-3-2-4-8-15)19(26)14-24-17-10-6-5-9-16(17)21-22-24/h2-10H,11-14H2,1H3,(H,20,25)
InChIKeyOGNUKQDPHDXOCH-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.23
Rot. Bonds8

About 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide

2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide (PubChem CID 645268) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide
PubChem CID645268
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N5O3/c1-27-12-11-20-18(25)13-23(15-7-3-2-4-8-15)19(26)14-24-17-10-6-5-9-16(17)21-22-24/h2-10H,11-14H2,1H3,(H,20,25)
InChIKeyOGNUKQDPHDXOCH-UHFFFAOYSA-N
XLogP1.23
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide (CID 645268) is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide is COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide?
The InChIKey is OGNUKQDPHDXOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-12-11-20-18(25)13-23(15-7-3-2-4-8-15)19(26)14-24-17-10-6-5-9-16(17)21-22-24/h2-10H,11-14H2,1H3,(H,20,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide?
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide has a molecular weight of 367.41 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenylacetamide is sourced from PubChem (CID 645268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).