2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide

C26H35N5O4 — CID 3196196

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(C(C(=O)NC(C)(C)CC)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C26H35N5O4/c1-6-26(3,4)27-25(33)24(19-12-14-20(15-13-19)35-7-2)30(16-17-34-5)23(32)18-31-22-11-9-8-10-21(22)28-29-31/h8-15,24H,6-7,16-18H2,1-5H3,(H,27,33)
InChIKeyVXIOBIWUBKHZEK-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.35
Rot. Bonds12

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 3196196) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID3196196
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1ccc(C(C(=O)NC(C)(C)CC)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C26H35N5O4/c1-6-26(3,4)27-25(33)24(19-12-14-20(15-13-19)35-7-2)30(16-17-34-5)23(32)18-31-22-11-9-8-10-21(22)28-29-31/h8-15,24H,6-7,16-18H2,1-5H3,(H,27,33)
InChIKeyVXIOBIWUBKHZEK-UHFFFAOYSA-N
XLogP3.35
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,5-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3452586
2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-N-tert-butyl-2-(4-ethylphenyl)acetamide
CID 3197982
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196248
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196249
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 25457150
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196245
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-2-(3,4-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101162
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 3212156
2-[[2-(benzotriazol-1-yl)acetyl]-(1-phenylethyl)amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 3228334
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 25457135
methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[(1R)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 98101325
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196219

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide (CID 3196196) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide is CCOc1ccc(C(C(=O)NC(C)(C)CC)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is VXIOBIWUBKHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-6-26(3,4)27-25(33)24(19-12-14-20(15-13-19)35-7-2)30(16-17-34-5)23(32)18-31-22-11-9-8-10-21(22)28-29-31/h8-15,24H,6-7,16-18H2,1-5H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(4-ethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 3196196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).