(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide

C16H23N5O — CID 95246521

IUPAC(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1-c1nn[nH]n1)CC(C)(C)C
InChIInChI=1S/C16H23N5O/c1-11(10-16(2,3)4)9-14(22)17-13-8-6-5-7-12(13)15-18-20-21-19-15/h5-8,11H,9-10H2,1-4H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1
InChIKeyJKVGKRVXPZYPQI-NSHDSACASA-N
MW301.39 g/mol
LogP3.27
Rot. Bonds5

About (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide

(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide (PubChem CID 95246521) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide
PubChem CID95246521
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1-c1nn[nH]n1)CC(C)(C)C
InChIInChI=1S/C16H23N5O/c1-11(10-16(2,3)4)9-14(22)17-13-8-6-5-7-12(13)15-18-20-21-19-15/h5-8,11H,9-10H2,1-4H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1
InChIKeyJKVGKRVXPZYPQI-NSHDSACASA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide?
The IUPAC name of (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide (CID 95246521) is (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide.
What is the SMILES notation for (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide?
The canonical SMILES for (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide is C[C@@H](CC(=O)Nc1ccccc1-c1nn[nH]n1)CC(C)(C)C.
What is the InChIKey of (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide?
The InChIKey is JKVGKRVXPZYPQI-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(10-16(2,3)4)9-14(22)17-13-8-6-5-7-12(13)15-18-20-21-19-15/h5-8,11H,9-10H2,1-4H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1.
What are the key properties of (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide?
(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide has a molecular weight of 301.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 95246521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).