N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide

C15H20N4O3 — CID 99873798

IUPACN-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccc(C[C@](C)(O)CNC(=O)c2cn(C)nn2)cc1
InChIInChI=1S/C15H20N4O3/c1-15(21,8-11-4-6-12(22-3)7-5-11)10-16-14(20)13-9-19(2)18-17-13/h4-7,9,21H,8,10H2,1-3H3,(H,16,20)/t15-/m0/s1
InChIKeyHTPMBBOMEJFJGV-HNNXBMFYSA-N
MW304.35 g/mol
LogP0.55
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide

N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide (PubChem CID 99873798) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
PubChem CID99873798
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccc(C[C@](C)(O)CNC(=O)c2cn(C)nn2)cc1
InChIInChI=1S/C15H20N4O3/c1-15(21,8-11-4-6-12(22-3)7-5-11)10-16-14(20)13-9-19(2)18-17-13/h4-7,9,21H,8,10H2,1-3H3,(H,16,20)/t15-/m0/s1
InChIKeyHTPMBBOMEJFJGV-HNNXBMFYSA-N
XLogP0.55
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide 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 N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide (CID 99873798) is N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide is COc1ccc(C[C@](C)(O)CNC(=O)c2cn(C)nn2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide?
The InChIKey is HTPMBBOMEJFJGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(21,8-11-4-6-12(22-3)7-5-11)10-16-14(20)13-9-19(2)18-17-13/h4-7,9,21H,8,10H2,1-3H3,(H,16,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide?
N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 99873798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).