2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide

C28H32N6O2 — CID 3196020

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
SMILESCCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC(C)(C)CC)c1ccncc1
InChIInChI=1S/C28H32N6O2/c1-5-20-11-7-9-13-23(20)34(25(35)19-33-24-14-10-8-12-22(24)31-32-33)26(21-15-17-29-18-16-21)27(36)30-28(3,4)6-2/h7-18,26H,5-6,19H2,1-4H3,(H,30,36)
InChIKeyQYUVSXSZPXXBQG-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.47
Rot. Bonds9

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide (PubChem CID 3196020) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
PubChem CID3196020
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
SMILESCCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC(C)(C)CC)c1ccncc1
InChIInChI=1S/C28H32N6O2/c1-5-20-11-7-9-13-23(20)34(25(35)19-33-24-14-10-8-12-22(24)31-32-33)26(21-15-17-29-18-16-21)27(36)30-28(3,4)6-2/h7-18,26H,5-6,19H2,1-4H3,(H,30,36)
InChIKeyQYUVSXSZPXXBQG-UHFFFAOYSA-N
XLogP4.47
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3198849
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-chloroanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
CID 3195986
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(3,4-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196126
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 25457135
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
CID 3195990
2-(2-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3198721
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-2-(3,4-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196120
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-3-ylacetamide
CID 3195960
(2R)-2-[(6-acetyl-1,3-benzodioxol-5-yl)-[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-methylbutan-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 98101040
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-N-(2-methylbutan-2-yl)-2-phenylacetamide
CID 3196333
2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196293
2-[[2-(benzotriazol-1-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
CID 3195976

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide (CID 3196020) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide is CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC(C)(C)CC)c1ccncc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide?
The InChIKey is QYUVSXSZPXXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-5-20-11-7-9-13-23(20)34(25(35)19-33-24-14-10-8-12-22(24)31-32-33)26(21-15-17-29-18-16-21)27(36)30-28(3,4)6-2/h7-18,26H,5-6,19H2,1-4H3,(H,30,36).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide has a molecular weight of 484.60 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3196020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).