4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide

C24H46N4O3 — CID 166949146

IUPAC4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide
SMILESCCCCn1cc(COC(C)(C)CCOC(C)(C)CCC(=O)NC(C)(CC)CC)nn1
InChIInChI=1S/C24H46N4O3/c1-9-12-16-28-18-20(26-27-28)19-31-23(6,7)15-17-30-22(4,5)14-13-21(29)25-24(8,10-2)11-3/h18H,9-17,19H2,1-8H3,(H,25,29)
InChIKeyZWHWSIGSPAVTAJ-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.03
Rot. Bonds16

About 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide

4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide (PubChem CID 166949146) has the molecular formula C24H46N4O3 and a molecular weight of 438.66 g/mol. Its IUPAC name is 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide.

Molecular Properties

Compound Name4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide
PubChem CID166949146
Molecular FormulaC24H46N4O3
Molecular Weight438.66 g/mol
Exact Mass438.36
IUPAC Name4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide
SMILESCCCCn1cc(COC(C)(C)CCOC(C)(C)CCC(=O)NC(C)(CC)CC)nn1
InChIInChI=1S/C24H46N4O3/c1-9-12-16-28-18-20(26-27-28)19-31-23(6,7)15-17-30-22(4,5)14-13-21(29)25-24(8,10-2)11-3/h18H,9-17,19H2,1-8H3,(H,25,29)
InChIKeyZWHWSIGSPAVTAJ-UHFFFAOYSA-N
XLogP5.03
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide?
The IUPAC name of 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide (CID 166949146) is 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide.
What is the SMILES notation for 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide?
The canonical SMILES for 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide is CCCCn1cc(COC(C)(C)CCOC(C)(C)CCC(=O)NC(C)(CC)CC)nn1.
What is the InChIKey of 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide?
The InChIKey is ZWHWSIGSPAVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O3/c1-9-12-16-28-18-20(26-27-28)19-31-23(6,7)15-17-30-22(4,5)14-13-21(29)25-24(8,10-2)11-3/h18H,9-17,19H2,1-8H3,(H,25,29).
What are the key properties of 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide?
4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide has a molecular weight of 438.66 g/mol, XLogP of 5.03, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide is sourced from PubChem (CID 166949146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).