2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide

C25H25N5O4 — CID 2722754

IUPAC2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C25H25N5O4/c1-33-20-11-7-18(8-12-20)15-29(16-24(31)26-19-9-13-21(34-2)14-10-19)25(32)17-30-23-6-4-3-5-22(23)27-28-30/h3-14H,15-17H2,1-2H3,(H,26,31)
InChIKeyZHEDFEAYGWGSSI-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.12
Rot. Bonds9

About 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2722754) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2722754
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C25H25N5O4/c1-33-20-11-7-18(8-12-20)15-29(16-24(31)26-19-9-13-21(34-2)14-10-19)25(32)17-30-23-6-4-3-5-22(23)27-28-30/h3-14H,15-17H2,1-2H3,(H,26,31)
InChIKeyZHEDFEAYGWGSSI-UHFFFAOYSA-N
XLogP3.12
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N,2-bis(4-methoxyphenyl)acetamide
CID 43820186
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-2-methylpropanamide
CID 2722845
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-(4-methoxyphenyl)acetamide
CID 3281823
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(4-fluorophenyl)-N-(4-methoxyphenyl)acetamide
CID 4625190
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-thiophen-2-ylacetamide
CID 1495674
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(4-methoxyphenyl)butanamide
CID 43820222
2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 2723137
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)acetamide
CID 3397286
1-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5081546
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 43820193
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 4116358

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2722754) is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ZHEDFEAYGWGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-33-20-11-7-18(8-12-20)15-29(16-24(31)26-19-9-13-21(34-2)14-10-19)25(32)17-30-23-6-4-3-5-22(23)27-28-30/h3-14H,15-17H2,1-2H3,(H,26,31).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).