2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide

C27H31N5O3 — CID 3196306

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C27H31N5O3/c1-5-27(3,4)28-26(34)25(20-14-12-19(2)13-15-20)31(17-21-9-8-16-35-21)24(33)18-32-23-11-7-6-10-22(23)29-30-32/h6-16,25H,5,17-18H2,1-4H3,(H,28,34)
InChIKeyGBXMETNVGNOLGE-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.41
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 3196306) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID3196306
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C27H31N5O3/c1-5-27(3,4)28-26(34)25(20-14-12-19(2)13-15-20)31(17-21-9-8-16-35-21)24(33)18-32-23-11-7-6-10-22(23)29-30-32/h6-16,25H,5,17-18H2,1-4H3,(H,28,34)
InChIKeyGBXMETNVGNOLGE-UHFFFAOYSA-N
XLogP4.41
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide with MolForge

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Related Compounds

Asn04885796
CID 3191600
N-Furan-2-ylmethyl-N-isopropyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156140
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-(2-furylmethyl)acetamide
CID 2227057
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-phenyl)-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
CID 644611
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-(2,6-dimethyl-phenyl)-2-thiophen-2-yl-acetamide
CID 644667
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(3-methoxy-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-3-yl-acetamide
CID 645568
2-[(2-Benzotriazol-1-yl-acetyl)-m-tolyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 645895
2-[Benzo[1,3]dioxol-5-ylmethyl-(2-benzotriazol-1-yl-acetyl)-amino]-N-tert-butyl-2-furan-2-yl-acetamide
CID 646921
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide
CID 647425
2-[(2-Benzotriazol-1-yl-acetyl)-(2,5-dimethyl-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 647558
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 647835

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide (CID 3196306) is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide is CCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is GBXMETNVGNOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-5-27(3,4)28-26(34)25(20-14-12-19(2)13-15-20)31(17-21-9-8-16-35-21)24(33)18-32-23-11-7-6-10-22(23)29-30-32/h6-16,25H,5,17-18H2,1-4H3,(H,28,34).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 473.58 g/mol, XLogP of 4.41, 9 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]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3196306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).