(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C20H28N4O2 — CID 95132420

IUPAC(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCn1cnnc1CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H28N4O2/c1-3-11-24-14-22-23-19(24)13-21-20(25)18(4-2)26-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18H,3-8,11,13H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyAJSPMFLEQZJVRG-GOSISDBHSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds8

About (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 95132420) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID95132420
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCn1cnnc1CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H28N4O2/c1-3-11-24-14-22-23-19(24)13-21-20(25)18(4-2)26-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18H,3-8,11,13H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyAJSPMFLEQZJVRG-GOSISDBHSA-N
XLogP3.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 95132420) is (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCCn1cnnc1CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is AJSPMFLEQZJVRG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-11-24-14-22-23-19(24)13-21-20(25)18(4-2)26-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18H,3-8,11,13H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 95132420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).