3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide

C20H22N4O — CID 78804509

IUPAC3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ccc(-n2cncn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)12-20(25)23-16(2)18-8-10-19(11-9-18)24-14-21-13-22-24/h3-11,13-16H,12H2,1-2H3,(H,23,25)
InChIKeyJJPSGFVPSLYJOM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds6

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

3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide (PubChem CID 78804509) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
PubChem CID78804509
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ccc(-n2cncn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)12-20(25)23-16(2)18-8-10-19(11-9-18)24-14-21-13-22-24/h3-11,13-16H,12H2,1-2H3,(H,23,25)
InChIKeyJJPSGFVPSLYJOM-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 32710267
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 47017963
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 92786787

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide (CID 78804509) is 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide is CC(CC(=O)NC(C)c1ccc(-n2cncn2)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The InChIKey is JJPSGFVPSLYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)12-20(25)23-16(2)18-8-10-19(11-9-18)24-14-21-13-22-24/h3-11,13-16H,12H2,1-2H3,(H,23,25).
What are the key properties of 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 78804509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).