3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide

C21H24N4O — CID 78858162

IUPAC3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(Cn2cncn2)cc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-3-16(2)20(18-7-5-4-6-8-18)21(26)24-19-11-9-17(10-12-19)13-25-15-22-14-23-25/h4-12,14-16,20H,3,13H2,1-2H3,(H,24,26)
InChIKeyAAEPAMYYHRGAOJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds7

About 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide

3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 78858162) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
PubChem CID78858162
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(Cn2cncn2)cc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-3-16(2)20(18-7-5-4-6-8-18)21(26)24-19-11-9-17(10-12-19)13-25-15-22-14-23-25/h4-12,14-16,20H,3,13H2,1-2H3,(H,24,26)
InChIKeyAAEPAMYYHRGAOJ-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 51933857
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 46972745
(2S)-2-(methanesulfonamido)-3,3-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 97069979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (CID 78858162) is 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is CCC(C)C(C(=O)Nc1ccc(Cn2cncn2)cc1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is AAEPAMYYHRGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-16(2)20(18-7-5-4-6-8-18)21(26)24-19-11-9-17(10-12-19)13-25-15-22-14-23-25/h4-12,14-16,20H,3,13H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 348.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 78858162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).