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

C18H18N4O2 — CID 171139086

IUPACN-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
SMILESCCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-2-16(17(23)20-14-9-5-3-6-10-14)24-18-19-13-22(21-18)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3,(H,20,23)
InChIKeyXLGPNLKQULQPLM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.06
Rot. Bonds6

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

N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide (PubChem CID 171139086) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide.

Molecular Properties

Compound NameN-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
PubChem CID171139086
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
SMILESCCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-2-16(17(23)20-14-9-5-3-6-10-14)24-18-19-13-22(21-18)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3,(H,20,23)
InChIKeyXLGPNLKQULQPLM-UHFFFAOYSA-N
XLogP3.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139098
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 18134460
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The IUPAC name of N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide (CID 171139086) is N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide.
What is the SMILES notation for N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The canonical SMILES for N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide is CCC(Oc1ncn(-c2ccccc2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
The InChIKey is XLGPNLKQULQPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-16(17(23)20-14-9-5-3-6-10-14)24-18-19-13-22(21-18)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3,(H,20,23).
What are the key properties of N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide?
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide has a molecular weight of 322.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide is sourced from PubChem (CID 171139086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).