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

C20H23N5O3 — CID 3212216

IUPAC2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1C
InChIInChI=1S/C20H23N5O3/c1-15-7-3-5-9-17(15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-10-6-4-8-16(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26)
InChIKeyNYNOVSRJEDNFSQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.54
Rot. Bonds8

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

2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide (PubChem CID 3212216) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide
PubChem CID3212216
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1C
InChIInChI=1S/C20H23N5O3/c1-15-7-3-5-9-17(15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-10-6-4-8-16(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26)
InChIKeyNYNOVSRJEDNFSQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.54
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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Related Compounds

2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
N-(2,2-diethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)acetamide
CID 4295387
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
2-[2-(1,2,3-Benzotriazol-1-YL)-N-benzylacetamido]-N-(2-methoxyethyl)-2-(pyridin-3-YL)acetamide
CID 3212185
2-Benzotriazol-1-yl-N-(3-chloro-4-fluoro-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-acetamide
CID 648316
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
CID 648490
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 648572
2-[(2-Benzotriazol-1-yl-acetyl)-pyridin-3-yl-amino]-N-(2-methoxy-ethyl)-2-phenyl-acetamide
CID 650235
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-methylphenyl)acetamide
CID 863036
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-o-tolyl-acetamide
CID 1469608

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide (CID 3212216) is 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide is COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1C.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide?
The InChIKey is NYNOVSRJEDNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-15-7-3-5-9-17(15)24(13-19(26)21-11-12-28-2)20(27)14-25-18-10-6-4-8-16(18)22-23-25/h3-10H,11-14H2,1-2H3,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-methylphenyl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.54, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 3212216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).