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

C19H24N4O3 — CID 91760699

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C19H24N4O3/c24-12-17-21-22-19(23(17)15-6-7-15)13-10-14(11-13)20-18(25)8-9-26-16-4-2-1-3-5-16/h1-5,13-15,24H,6-12H2,(H,20,25)
InChIKeyOECYKDOJCQQBOP-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.94
Rot. Bonds8

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

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide (PubChem CID 91760699) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide
PubChem CID91760699
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C19H24N4O3/c24-12-17-21-22-19(23(17)15-6-7-15)13-10-14(11-13)20-18(25)8-9-26-16-4-2-1-3-5-16/h1-5,13-15,24H,6-12H2,(H,20,25)
InChIKeyOECYKDOJCQQBOP-UHFFFAOYSA-N
XLogP1.94
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 91791275
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
4-cyano-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrrole-2-carboxamide
CID 91795218
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91796673
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
CID 156604328
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide (CID 91760699) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide?
The InChIKey is OECYKDOJCQQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-12-17-21-22-19(23(17)15-6-7-15)13-10-14(11-13)20-18(25)8-9-26-16-4-2-1-3-5-16/h1-5,13-15,24H,6-12H2,(H,20,25).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide has a molecular weight of 356.43 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide is sourced from PubChem (CID 91760699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).