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

C19H20N4O2 — CID 171138644

IUPACN-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCC(Oc1ncn(-c2ccccc2)n1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(18(24)20-13-12-16-8-4-2-5-9-16)25-19-21-14-23(22-19)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,20,24)
InChIKeyBANJFIDQJBQCTP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.39
Rot. Bonds7

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

N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (PubChem CID 171138644) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
PubChem CID171138644
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCC(Oc1ncn(-c2ccccc2)n1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(18(24)20-13-12-16-8-4-2-5-9-16)25-19-21-14-23(22-19)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,20,24)
InChIKeyBANJFIDQJBQCTP-UHFFFAOYSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
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
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139086
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
2-(1-phenylpyrazol-3-yl)oxy-N-(2-pyridin-2-ylethyl)propanamide
CID 102567154
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The IUPAC name of N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (CID 171138644) is N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The canonical SMILES for N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is CC(Oc1ncn(-c2ccccc2)n1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The InChIKey is BANJFIDQJBQCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15(18(24)20-13-12-16-8-4-2-5-9-16)25-19-21-14-23(22-19)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,20,24).
What are the key properties of N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is sourced from PubChem (CID 171138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).