N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide

C24H22N4O2 — CID 55855875

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C24H22N4O2/c1-18(30-22-14-12-21(13-15-22)20-10-6-3-7-11-20)23(29)26-24-25-17-28(27-24)16-19-8-4-2-5-9-19/h2-15,17-18H,16H2,1H3,(H,26,27,29)
InChIKeyGYMGMQWLALNLHF-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.40
Rot. Bonds7

About N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide

N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide (PubChem CID 55855875) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide
PubChem CID55855875
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C24H22N4O2/c1-18(30-22-14-12-21(13-15-22)20-10-6-3-7-11-20)23(29)26-24-25-17-28(27-24)16-19-8-4-2-5-9-19/h2-15,17-18H,16H2,1H3,(H,26,27,29)
InChIKeyGYMGMQWLALNLHF-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514316
1-[1-[(1-benzyl-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506267
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2S)-2-[(1-benzyl-1,2,4-triazol-3-yl)carbamoylamino]-N-tert-butylpropanamide
CID 95597485
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide (CID 55855875) is N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ncn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is GYMGMQWLALNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-18(30-22-14-12-21(13-15-22)20-10-6-3-7-11-20)23(29)26-24-25-17-28(27-24)16-19-8-4-2-5-9-19/h2-15,17-18H,16H2,1H3,(H,26,27,29).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 398.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 55855875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).