N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide

C14H18N4O — CID 50880888

IUPACN-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1c(C)cc(-n2cnnc2)cc1C
InChIInChI=1S/C14H18N4O/c1-4-5-13(19)17-14-10(2)6-12(7-11(14)3)18-8-15-16-9-18/h6-9H,4-5H2,1-3H3,(H,17,19)
InChIKeyLFNRHTHLORBVKU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds4

About N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide

N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide (PubChem CID 50880888) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
PubChem CID50880888
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1c(C)cc(-n2cnnc2)cc1C
InChIInChI=1S/C14H18N4O/c1-4-5-13(19)17-14-10(2)6-12(7-11(14)3)18-8-15-16-9-18/h6-9H,4-5H2,1-3H3,(H,17,19)
InChIKeyLFNRHTHLORBVKU-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
CID 50881359
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
2-bromo-N-[3-(butanoylamino)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701489
N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 8007682
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
CID 130387820
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide
CID 101114075
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide (CID 50880888) is N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1c(C)cc(-n2cnnc2)cc1C.
What is the InChIKey of N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide?
The InChIKey is LFNRHTHLORBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-5-13(19)17-14-10(2)6-12(7-11(14)3)18-8-15-16-9-18/h6-9H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide?
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 50880888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).