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

C24H28N4O2 — CID 1026826

IUPAC3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
SMILESCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-7-10-19(11-8-17)23-26-24(30-2)27-28(23)21-14-12-20(13-15-21)25-22(29)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3,(H,25,29)
InChIKeyIJMYSVZMXXNLCF-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.16
Rot. Bonds7

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

3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide (PubChem CID 1026826) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
PubChem CID1026826
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
SMILESCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-7-10-19(11-8-17)23-26-24(30-2)27-28(23)21-14-12-20(13-15-21)25-22(29)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3,(H,25,29)
InChIKeyIJMYSVZMXXNLCF-UHFFFAOYSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
(2S)-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 1026845
3-cyclopentyl-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 121028784
3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 11863383
N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]cyclopentanecarboxamide
CID 1029224
3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
CID 122302583
3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122296736
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
CID 1029177
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-[4-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]dodecanamide
CID 42665173
3-chloro-N-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]propanamide
CID 4305072

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide (CID 1026826) is 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide is COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CCC3CCCC3)cc2)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide?
The InChIKey is IJMYSVZMXXNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-10-19(11-8-17)23-26-24(30-2)27-28(23)21-14-12-20(13-15-21)25-22(29)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3,(H,25,29).
What are the key properties of 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide?
3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 1026826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).