N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide

C15H28N4O — CID 146153302

IUPACN-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
SMILESCC(C)CC(C)C(=O)NCCn1cc(C(C)(C)C)nn1
InChIInChI=1S/C15H28N4O/c1-11(2)9-12(3)14(20)16-7-8-19-10-13(17-18-19)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,20)
InChIKeyWKLDZWOHOHPPGU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide

N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide (PubChem CID 146153302) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
PubChem CID146153302
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
SMILESCC(C)CC(C)C(=O)NCCn1cc(C(C)(C)C)nn1
InChIInChI=1S/C15H28N4O/c1-11(2)9-12(3)14(20)16-7-8-19-10-13(17-18-19)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,20)
InChIKeyWKLDZWOHOHPPGU-UHFFFAOYSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-(3,3-dimethylbutyl)triazole
CID 90801752
1-[2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one;ethane
CID 155711129
3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 63999720
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
CID 146153347
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
CID 176586839
ethyl 3-(4-tert-butyltriazol-1-yl)-2,2-difluoropropanoate
CID 165487923
2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
CID 171646885
N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119521711
1-[2-[(4-amino-3-methylbutanoyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500135

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide?
The IUPAC name of N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide (CID 146153302) is N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide?
The canonical SMILES for N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide is CC(C)CC(C)C(=O)NCCn1cc(C(C)(C)C)nn1.
What is the InChIKey of N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide?
The InChIKey is WKLDZWOHOHPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)9-12(3)14(20)16-7-8-19-10-13(17-18-19)15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,20).
What are the key properties of N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide?
N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide has a molecular weight of 280.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide is sourced from PubChem (CID 146153302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).