2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

C17H22N4O3 — CID 71851380

IUPAC2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H22N4O3/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1,3,7,11,13,15H,2,4-6,8-10,12H2
InChIKeyJVDLZXSYOIWFLY-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.96
Rot. Bonds7

About 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71851380) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71851380
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H22N4O3/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1,3,7,11,13,15H,2,4-6,8-10,12H2
InChIKeyJVDLZXSYOIWFLY-UHFFFAOYSA-N
XLogP1.96
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (CID 71851380) is 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JVDLZXSYOIWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1,3,7,11,13,15H,2,4-6,8-10,12H2.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71851380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).