N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

C17H23FN4O2 — CID 95759523

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H]([C@@H](C)NCC(=O)NCCOc1ccc(F)cc1)n1cccn1
InChIInChI=1S/C17H23FN4O2/c1-13(14(2)22-10-3-8-21-22)20-12-17(23)19-9-11-24-16-6-4-15(18)5-7-16/h3-8,10,13-14,20H,9,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyPBJCNKKFBPFDDS-ZIAGYGMSSA-N
MW334.40 g/mol
LogP1.76
Rot. Bonds9

About N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (PubChem CID 95759523) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
PubChem CID95759523
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H]([C@@H](C)NCC(=O)NCCOc1ccc(F)cc1)n1cccn1
InChIInChI=1S/C17H23FN4O2/c1-13(14(2)22-10-3-8-21-22)20-12-17(23)19-9-11-24-16-6-4-15(18)5-7-16/h3-8,10,13-14,20H,9,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyPBJCNKKFBPFDDS-ZIAGYGMSSA-N
XLogP1.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95325251
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 95349347
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
CID 95345808
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 8688905
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
CID 63237279
N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95277041
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (CID 95759523) is N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is C[C@H]([C@@H](C)NCC(=O)NCCOc1ccc(F)cc1)n1cccn1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The InChIKey is PBJCNKKFBPFDDS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-13(14(2)22-10-3-8-21-22)20-12-17(23)19-9-11-24-16-6-4-15(18)5-7-16/h3-8,10,13-14,20H,9,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 95759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).