3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C19H20N4O3 — CID 7582937

IUPAC3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13(14-4-6-16(7-5-14)23-12-20-11-21-23)22-19(24)15-8-17(25-2)10-18(9-15)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyZOTOCMPNGQYDHR-CYBMUJFWSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds6

About 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 7582937) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID7582937
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13(14-4-6-16(7-5-14)23-12-20-11-21-23)22-19(24)15-8-17(25-2)10-18(9-15)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyZOTOCMPNGQYDHR-CYBMUJFWSA-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

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Related Compounds

3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
3-(4-methoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24644422
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574206
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
3-[(3-methylphenyl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 134037268
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 7582937) is 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is ZOTOCMPNGQYDHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(14-4-6-16(7-5-14)23-12-20-11-21-23)22-19(24)15-8-17(25-2)10-18(9-15)26-3/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
3,5-dimethoxy-N-[(1R)-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 3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 7582937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).