3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide

C18H20N4O3 — CID 91771699

IUPAC3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCn1cnnc1CCNC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C18H20N4O3/c1-24-11-9-22-13-20-21-17(22)7-8-19-18(23)15-5-2-4-14(12-15)16-6-3-10-25-16/h2-6,10,12-13H,7-9,11H2,1H3,(H,19,23)
InChIKeyCVHOOUMXMPCUOS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.16
Rot. Bonds8

About 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide

3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 91771699) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID91771699
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCn1cnnc1CCNC(=O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C18H20N4O3/c1-24-11-9-22-13-20-21-17(22)7-8-19-18(23)15-5-2-4-14(12-15)16-6-3-10-25-16/h2-6,10,12-13H,7-9,11H2,1H3,(H,19,23)
InChIKeyCVHOOUMXMPCUOS-UHFFFAOYSA-N
XLogP2.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide (CID 91771699) is 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide is COCCn1cnnc1CCNC(=O)c1cccc(-c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is CVHOOUMXMPCUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-11-9-22-13-20-21-17(22)7-8-19-18(23)15-5-2-4-14(12-15)16-6-3-10-25-16/h2-6,10,12-13H,7-9,11H2,1H3,(H,19,23).
What are the key properties of 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 91771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).