2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C19H20N4O3 — CID 32966531

IUPAC2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyHGGYWPZHPOEHQV-ZDUSSCGKSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds6

About 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 32966531) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID32966531
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyHGGYWPZHPOEHQV-ZDUSSCGKSA-N
XLogP2.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide 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 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 32966531) is 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is HGGYWPZHPOEHQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 32966531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).