2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide

C30H27N5O2 — CID 3201968

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C30H27N5O2/c1-21-12-11-13-22(2)28(21)31-30(37)29(23-14-5-3-6-15-23)35(24-16-7-4-8-17-24)27(36)20-34-26-19-10-9-18-25(26)32-33-34/h3-19,29H,20H2,1-2H3,(H,31,37)
InChIKeyMRLJQCDGTFEPBD-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.46
Rot. Bonds7

About 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide (PubChem CID 3201968) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide
PubChem CID3201968
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C30H27N5O2/c1-21-12-11-13-22(2)28(21)31-30(37)29(23-14-5-3-6-15-23)35(24-16-7-4-8-17-24)27(36)20-34-26-19-10-9-18-25(26)32-33-34/h3-19,29H,20H2,1-2H3,(H,31,37)
InChIKeyMRLJQCDGTFEPBD-UHFFFAOYSA-N
XLogP5.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide 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-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-thiophen-2-ylacetamide
CID 3802735
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methylanilino)-N-(3-methylbutyl)-2-phenylacetamide
CID 3195417
(2S)-2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(3-methylbutyl)-2-phenylacetamide
CID 25456296
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-chloroanilino)-N-(2-methoxyethyl)-2-phenylacetamide
CID 3212027
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethylanilino)-N-(2-methoxyethyl)-2-phenylacetamide
CID 3212017
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 25457150
(2S)-2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 25455466
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-(3-methylbutyl)-2-phenylacetamide
CID 25456337
2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethylanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 3195322
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-benzyl-2-(3-methoxyphenyl)acetamide
CID 1463625
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,6-dimethylanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463588
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 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide (CID 3201968) is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide is Cc1cccc(C)c1NC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide?
The InChIKey is MRLJQCDGTFEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-21-12-11-13-22(2)28(21)31-30(37)29(23-14-5-3-6-15-23)35(24-16-7-4-8-17-24)27(36)20-34-26-19-10-9-18-25(26)32-33-34/h3-19,29H,20H2,1-2H3,(H,31,37).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide has a molecular weight of 489.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 3201968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).