N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide

C25H24N4O2 — CID 1029177

IUPACN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1
InChIInChI=1S/C25H24N4O2/c1-18-8-6-7-11-22(18)24-27-25(31-2)28-29(24)21-15-13-20(14-16-21)26-23(30)17-12-19-9-4-3-5-10-19/h3-11,13-16H,12,17H2,1-2H3,(H,26,30)
InChIKeyHKPYHADIEZRRKT-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.82
Rot. Bonds7

About N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide (PubChem CID 1029177) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
PubChem CID1029177
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1
InChIInChI=1S/C25H24N4O2/c1-18-8-6-7-11-22(18)24-27-25(31-2)28-29(24)21-15-13-20(14-16-21)26-23(30)17-12-19-9-4-3-5-10-19/h3-11,13-16H,12,17H2,1-2H3,(H,26,30)
InChIKeyHKPYHADIEZRRKT-UHFFFAOYSA-N
XLogP4.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029164
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029301
2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
CID 42778412
N-[4-[5-(4-butylphenyl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
CID 70921071
N-[4-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]hexanamide
CID 4565410
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 4173586
2,6-dimethoxy-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1029329
3,5-dimethoxy-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4049573
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
(2S)-2-chloro-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 1029331
N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 4061544

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide (CID 1029177) is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide is COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide?
The InChIKey is HKPYHADIEZRRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-8-6-7-11-22(18)24-27-25(31-2)28-29(24)21-15-13-20(14-16-21)26-23(30)17-12-19-9-4-3-5-10-19/h3-11,13-16H,12,17H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide?
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide has a molecular weight of 412.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 1029177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).