2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide

C28H31N5O3 — CID 3198880

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2
InChIInChI=1S/C28H31N5O3/c1-4-28(2,3)29-27(35)26(24-13-8-16-36-24)33(21-15-14-19-9-7-10-20(19)17-21)25(34)18-32-23-12-6-5-11-22(23)30-31-32/h5-6,8,11-17,26H,4,7,9-10,18H2,1-3H3,(H,29,35)
InChIKeyZHBGLWXOXUOWBT-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.59
Rot. Bonds8

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 3198880) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID3198880
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2
InChIInChI=1S/C28H31N5O3/c1-4-28(2,3)29-27(35)26(24-13-8-16-36-24)33(21-15-14-19-9-7-10-20(19)17-21)25(34)18-32-23-12-6-5-11-22(23)30-31-32/h5-6,8,11-17,26H,4,7,9-10,18H2,1-3H3,(H,29,35)
InChIKeyZHBGLWXOXUOWBT-UHFFFAOYSA-N
XLogP4.59
TPSA93.26 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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)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]-(2,3-dihydro-1H-inden-5-yl)amino]-N-(2-methylbutan-2-yl)-2-phenylacetamide
CID 3196333
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-tert-butyl-2-(furan-2-yl)acetamide
CID 3181874
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3198723
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
CID 3198778
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101219
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
CID 3195990
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-chloroanilino)-N-(2-methylbutan-2-yl)-2-pyridin-4-ylacetamide
CID 3195986
(2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide
CID 1152459
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101332
2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
CID 646608
2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethylanilino)-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)acetamide
CID 3198758
(2S)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
CID 40624725

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide (CID 3198880) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ZHBGLWXOXUOWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-4-28(2,3)29-27(35)26(24-13-8-16-36-24)33(21-15-14-19-9-7-10-20(19)17-21)25(34)18-32-23-12-6-5-11-22(23)30-31-32/h5-6,8,11-17,26H,4,7,9-10,18H2,1-3H3,(H,29,35).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 3198880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).