2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide

C18H26N4O3 — CID 75380704

IUPAC2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C18H26N4O3/c1-13(25-14-7-4-2-3-5-8-14)18(23)19-11-10-16-20-17(22-21-16)15-9-6-12-24-15/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyHHRNMUTWYRHARA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.85
Rot. Bonds7

About 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide

2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide (PubChem CID 75380704) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
PubChem CID75380704
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C18H26N4O3/c1-13(25-14-7-4-2-3-5-8-14)18(23)19-11-10-16-20-17(22-21-16)15-9-6-12-24-15/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyHHRNMUTWYRHARA-UHFFFAOYSA-N
XLogP2.85
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide?
The IUPAC name of 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide (CID 75380704) is 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide?
The canonical SMILES for 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide is CC(OC1CCCCCC1)C(=O)NCCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide?
The InChIKey is HHRNMUTWYRHARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(25-14-7-4-2-3-5-8-14)18(23)19-11-10-16-20-17(22-21-16)15-9-6-12-24-15/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide?
2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 75380704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).