2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide

C25H27N5O4 — CID 654929

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide
SMILESCCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccco1
InChIInChI=1S/C25H27N5O4/c1-3-18-9-4-6-11-20(18)30(23(31)17-29-21-12-7-5-10-19(21)27-28-29)24(22-13-8-15-34-22)25(32)26-14-16-33-2/h4-13,15,24H,3,14,16-17H2,1-2H3,(H,26,32)
InChIKeyISHQBVFSMPNVJV-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.12
Rot. Bonds10

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 654929) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide
PubChem CID654929
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide
SMILESCCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccco1
InChIInChI=1S/C25H27N5O4/c1-3-18-9-4-6-11-20(18)30(23(31)17-29-21-12-7-5-10-19(21)27-28-29)24(22-13-8-15-34-22)25(32)26-14-16-33-2/h4-13,15,24H,3,14,16-17H2,1-2H3,(H,26,32)
InChIKeyISHQBVFSMPNVJV-UHFFFAOYSA-N
XLogP3.12
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Asn04885796
CID 3191600
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
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318
2-[(2-Benzotriazol-1-yl-acetyl)-phenyl-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
CID 648356

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide (CID 654929) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide is CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccco1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is ISHQBVFSMPNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-3-18-9-4-6-11-20(18)30(23(31)17-29-21-12-7-5-10-19(21)27-28-29)24(22-13-8-15-34-22)25(32)26-14-16-33-2/h4-13,15,24H,3,14,16-17H2,1-2H3,(H,26,32).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 461.52 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(furan-2-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 654929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).