N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide

C20H28N4O — CID 125165723

IUPACN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
SMILESC[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C20H28N4O/c1-15(19-23-21-14-24(19)17-11-7-8-12-17)22-18(25)13-20(2,3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,7-8,11-13H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyDXVTZEQFVIQJAC-OAHLLOKOSA-N
MW340.47 g/mol
LogP3.94
Rot. Bonds6

About N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide (PubChem CID 125165723) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
PubChem CID125165723
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
SMILESC[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C20H28N4O/c1-15(19-23-21-14-24(19)17-11-7-8-12-17)22-18(25)13-20(2,3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,7-8,11-13H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyDXVTZEQFVIQJAC-OAHLLOKOSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide (CID 125165723) is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide is C[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide?
The InChIKey is DXVTZEQFVIQJAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(19-23-21-14-24(19)17-11-7-8-12-17)22-18(25)13-20(2,3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,7-8,11-13H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide?
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide has a molecular weight of 340.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 125165723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).