N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide

C20H21N5O2 — CID 119039409

IUPACN-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2cncn2)C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c26-20(13-24-11-10-17(12-24)25-15-21-14-22-25)23-16-6-8-19(9-7-16)27-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H,23,26)
InChIKeyHGIXRAYLALQBTE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.96
Rot. Bonds6

About N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide

N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide (PubChem CID 119039409) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
PubChem CID119039409
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2cncn2)C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c26-20(13-24-11-10-17(12-24)25-15-21-14-22-25)23-16-6-8-19(9-7-16)27-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H,23,26)
InChIKeyHGIXRAYLALQBTE-UHFFFAOYSA-N
XLogP2.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]-2-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 100623739
N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 95153262
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
(3aS,6aR)-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681616
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 22063088
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 2708354
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 10459583

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide (CID 119039409) is N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(n2cncn2)C1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is HGIXRAYLALQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(13-24-11-10-17(12-24)25-15-21-14-22-25)23-16-6-8-19(9-7-16)27-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H,23,26).
What are the key properties of N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide?
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 119039409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).