N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide

C17H24N4O — CID 86829051

IUPACN-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C)(C)C(NC(=O)CCCn1cncn1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16(14-8-5-4-6-9-14)20-15(22)10-7-11-21-13-18-12-19-21/h4-6,8-9,12-13,16H,7,10-11H2,1-3H3,(H,20,22)
InChIKeySFLPPKZXKRVACP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.96
Rot. Bonds6

About N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide

N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 86829051) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID86829051
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C)(C)C(NC(=O)CCCn1cncn1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16(14-8-5-4-6-9-14)20-15(22)10-7-11-21-13-18-12-19-21/h4-6,8-9,12-13,16H,7,10-11H2,1-3H3,(H,20,22)
InChIKeySFLPPKZXKRVACP-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-phenylbut-3-ynyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 97057406
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131939523
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide (CID 86829051) is N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide is CC(C)(C)C(NC(=O)CCCn1cncn1)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is SFLPPKZXKRVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,3)16(14-8-5-4-6-9-14)20-15(22)10-7-11-21-13-18-12-19-21/h4-6,8-9,12-13,16H,7,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 300.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 86829051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).