(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide

C28H31N5O3 — CID 25457150

IUPAC(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O3/c1-5-36-22-17-15-20(16-18-22)26(27(35)29-28(2,3)4)33(21-11-7-6-8-12-21)25(34)19-32-24-14-10-9-13-23(24)30-31-32/h6-18,26H,5,19H2,1-4H3,(H,29,35)/t26-/m0/s1
InChIKeyURTLVJPLDFWEMZ-SANMLTNESA-N
MW485.59 g/mol
LogP4.52
Rot. Bonds8

About (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide

(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide (PubChem CID 25457150) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
PubChem CID25457150
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H31N5O3/c1-5-36-22-17-15-20(16-18-22)26(27(35)29-28(2,3)4)33(21-11-7-6-8-12-21)25(34)19-32-24-14-10-9-13-23(24)30-31-32/h6-18,26H,5,19H2,1-4H3,(H,29,35)/t26-/m0/s1
InChIKeyURTLVJPLDFWEMZ-SANMLTNESA-N
XLogP4.52
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)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

(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]-2,4-dimethylanilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 3195501
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 25456942
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-(3-methoxyphenyl)acetamide
CID 25457383
2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 3195483
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-(2-fluorophenyl)acetamide
CID 3195443
2-[[2-(benzotriazol-1-yl)acetyl]-(1-phenylethyl)amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 3228334
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-thiophen-2-ylacetamide
CID 3181864
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 3212156
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-(2,3-dimethoxyphenyl)acetamide
CID 3198115
(2S)-2-[(6-acetyl-1,3-benzodioxol-5-yl)-[2-(benzotriazol-1-yl)acetyl]amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 98100703
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-thiophen-3-ylacetamide
CID 3197969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide (CID 25457150) is (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide is CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide?
The InChIKey is URTLVJPLDFWEMZ-SANMLTNESA-N. The full InChI is InChI=1S/C28H31N5O3/c1-5-36-22-17-15-20(16-18-22)26(27(35)29-28(2,3)4)33(21-11-7-6-8-12-21)25(34)19-32-24-14-10-9-13-23(24)30-31-32/h6-18,26H,5,19H2,1-4H3,(H,29,35)/t26-/m0/s1.
What are the key properties of (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide?
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 25457150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).