N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

C18H20N4O3 — CID 119055236

IUPACN-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccco1
InChIInChI=1S/C18H20N4O3/c23-18(19-12-17-8-5-11-24-17)9-4-10-22-13-15(20-21-22)14-25-16-6-2-1-3-7-16/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,19,23)
InChIKeyTYYQQOOYAKUWCP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds9

About N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (PubChem CID 119055236) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
PubChem CID119055236
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccco1
InChIInChI=1S/C18H20N4O3/c23-18(19-12-17-8-5-11-24-17)9-4-10-22-13-15(20-21-22)14-25-16-6-2-1-3-7-16/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,19,23)
InChIKeyTYYQQOOYAKUWCP-UHFFFAOYSA-N
XLogP2.55
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (CID 119055236) is N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is O=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The InChIKey is TYYQQOOYAKUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(19-12-17-8-5-11-24-17)9-4-10-22-13-15(20-21-22)14-25-16-6-2-1-3-7-16/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide has a molecular weight of 340.38 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 119055236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).