2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide

C25H27N5O3 — CID 3185213

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C25H27N5O3/c1-25(2,3)26-24(32)23(21-14-9-15-33-21)29(16-18-10-5-4-6-11-18)22(31)17-30-20-13-8-7-12-19(20)27-28-30/h4-15,23H,16-17H2,1-3H3,(H,26,32)
InChIKeyFYIJWWNSWWVSHO-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.71
Rot. Bonds7

About 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide (PubChem CID 3185213) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide
PubChem CID3185213
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C25H27N5O3/c1-25(2,3)26-24(32)23(21-14-9-15-33-21)29(16-18-10-5-4-6-11-18)22(31)17-30-20-13-8-7-12-19(20)27-28-30/h4-15,23H,16-17H2,1-3H3,(H,26,32)
InChIKeyFYIJWWNSWWVSHO-UHFFFAOYSA-N
XLogP3.71
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-tert-butyl-2-(furan-2-yl)acetamide
CID 40581014
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]-[(4-fluorophenyl)methyl]amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 3206184
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-tert-butyl-2-(3,5-dimethoxyphenyl)acetamide
CID 98102594
2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
CID 23762238
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-2-(3-methoxyphenyl)acetamide
CID 3195520
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-2-(2,3-dimethoxyphenyl)acetamide
CID 98102688
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-2-(2,3-dimethoxyphenyl)acetamide
CID 3198103
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1155707
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 3196049
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196219
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-tert-butyl-2-(2-fluorophenyl)acetamide
CID 3195428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide (CID 3185213) is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide is CC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide?
The InChIKey is FYIJWWNSWWVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2,3)26-24(32)23(21-14-9-15-33-21)29(16-18-10-5-4-6-11-18)22(31)17-30-20-13-8-7-12-19(20)27-28-30/h4-15,23H,16-17H2,1-3H3,(H,26,32).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.71, 7 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]-benzylamino]-N-tert-butyl-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).