N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide

C19H26N4O2 — CID 91769556

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1nncn1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c24-19(12-7-13-25-17-10-5-2-6-11-17)20-14-18-22-21-15-23(18)16-8-3-1-4-9-16/h2,5-6,10-11,15-16H,1,3-4,7-9,12-14H2,(H,20,24)
InChIKeyKZIOYIARSUXLFO-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.26
Rot. Bonds8

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide (PubChem CID 91769556) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide
PubChem CID91769556
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1nncn1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c24-19(12-7-13-25-17-10-5-2-6-11-17)20-14-18-22-21-15-23(18)16-8-3-1-4-9-16/h2,5-6,10-11,15-16H,1,3-4,7-9,12-14H2,(H,20,24)
InChIKeyKZIOYIARSUXLFO-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-phenoxypropan-2-amine
CID 95121618
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91843426
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
CID 91829817
4-(1,3-benzothiazol-2-yl)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 71878399
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62709549
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50977335
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
CID 97209515
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 118792085
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide (CID 91769556) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide?
The InChIKey is KZIOYIARSUXLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(12-7-13-25-17-10-5-2-6-11-17)20-14-18-22-21-15-23(18)16-8-3-1-4-9-16/h2,5-6,10-11,15-16H,1,3-4,7-9,12-14H2,(H,20,24).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide has a molecular weight of 342.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 91769556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).