2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide

C26H35N5O5 — CID 3198419

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCOCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C26H35N5O5/c1-18(2)12-13-27-26(33)25(20-11-10-19(35-4)16-23(20)36-5)30(14-15-34-3)24(32)17-31-22-9-7-6-8-21(22)28-29-31/h6-11,16,18,25H,12-15,17H2,1-5H3,(H,27,33)
InChIKeyGEOCDRBLZMZGKC-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.83
Rot. Bonds13

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide (PubChem CID 3198419) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
PubChem CID3198419
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCOCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C26H35N5O5/c1-18(2)12-13-27-26(33)25(20-11-10-19(35-4)16-23(20)36-5)30(14-15-34-3)24(32)17-31-22-9-7-6-8-21(22)28-29-31/h6-11,16,18,25H,12-15,17H2,1-5H3,(H,27,33)
InChIKeyGEOCDRBLZMZGKC-UHFFFAOYSA-N
XLogP2.83
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-(3-methylbutyl)amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 3212031
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4-dimethoxyanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 3195315
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 3195314
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-(3-methylbutyl)-2-phenylacetamide
CID 25456337
2-(N-[2-(benzotriazol-1-yl)acetyl]-3,5-dimethoxyanilino)-2-(4-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 3198476
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(2,3-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
CID 98103268
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 98103013
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
CID 3198449
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 25455532
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 98103254
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide
CID 98103070

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide (CID 3198419) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide is COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCC(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide?
The InChIKey is GEOCDRBLZMZGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-18(2)12-13-27-26(33)25(20-11-10-19(35-4)16-23(20)36-5)30(14-15-34-3)24(32)17-31-22-9-7-6-8-21(22)28-29-31/h6-11,16,18,25H,12-15,17H2,1-5H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide has a molecular weight of 497.60 g/mol, XLogP of 2.83, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-methoxyethyl)amino]-2-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 3198419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).