2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide

C15H16N4O2 — CID 162625290

IUPAC2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide
SMILESCCN(Cc1ccoc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3
InChIKeyIKYIQYHISJXELQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide (PubChem CID 162625290) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide
PubChem CID162625290
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide
SMILESCCN(Cc1ccoc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3
InChIKeyIKYIQYHISJXELQ-UHFFFAOYSA-N
XLogP2.07
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzotriazol-1-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
CID 9593598
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole
CID 898637
N-(2-furylmethyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977007
2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823419
1-(Furan-3-carbonyl)-1H-1,2,3-benzotriazole
CID 3849700
2-(1H-benzotriazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9557236
2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 3206351
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645
3-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 52393805
2-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(E)-(furan-2-YL)methylidene]propanehydrazide
CID 9689959
1-(Furan-2-yl)benzotriazole
CID 4359244

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide (CID 162625290) is 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide is CCN(Cc1ccoc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide?
The InChIKey is IKYIQYHISJXELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide?
2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-ethyl-N-(furan-3-ylmethyl)acetamide is sourced from PubChem (CID 162625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).