N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide

C18H24N4O3 — CID 91786458

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCCOc2ccccc2)C1
InChIInChI=1S/C18H24N4O3/c1-22-16(12-23)20-21-18(22)13-10-14(11-13)19-17(24)8-5-9-25-15-6-3-2-4-7-15/h2-4,6-7,13-14,23H,5,8-12H2,1H3,(H,19,24)
InChIKeyFIOJECXFYVTQSK-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.53
Rot. Bonds8

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide (PubChem CID 91786458) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
PubChem CID91786458
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCCOc2ccccc2)C1
InChIInChI=1S/C18H24N4O3/c1-22-16(12-23)20-21-18(22)13-10-14(11-13)19-17(24)8-5-9-25-15-6-3-2-4-7-15/h2-4,6-7,13-14,23H,5,8-12H2,1H3,(H,19,24)
InChIKeyFIOJECXFYVTQSK-UHFFFAOYSA-N
XLogP1.53
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide
CID 91760699
3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91769457
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91767404
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
CID 91760265
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763940
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide (CID 91786458) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide is Cn1c(CO)nnc1C1CC(NC(=O)CCCOc2ccccc2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide?
The InChIKey is FIOJECXFYVTQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-22-16(12-23)20-21-18(22)13-10-14(11-13)19-17(24)8-5-9-25-15-6-3-2-4-7-15/h2-4,6-7,13-14,23H,5,8-12H2,1H3,(H,19,24).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide has a molecular weight of 344.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide is sourced from PubChem (CID 91786458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).