2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide

C20H22N4O3 — CID 17034278

IUPAC2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nncc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-4-19(27-18-11-9-17(26-3)10-12-18)20(25)22-15-5-7-16(8-6-15)24-14(2)13-21-23-24/h5-13,19H,4H2,1-3H3,(H,22,25)
InChIKeyIUYDESFOZUYJOI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.38
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide

2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide (PubChem CID 17034278) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide
PubChem CID17034278
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nncc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-4-19(27-18-11-9-17(26-3)10-12-18)20(25)22-15-5-7-16(8-6-15)24-14(2)13-21-23-24/h5-13,19H,4H2,1-3H3,(H,22,25)
InChIKeyIUYDESFOZUYJOI-UHFFFAOYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
(2S)-2-(4-ethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507846
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide (CID 17034278) is 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide is CCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nncc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide?
The InChIKey is IUYDESFOZUYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-19(27-18-11-9-17(26-3)10-12-18)20(25)22-15-5-7-16(8-6-15)24-14(2)13-21-23-24/h5-13,19H,4H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide?
2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide has a molecular weight of 366.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 17034278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).