N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide

C16H23FN2O2 — CID 50958987

IUPACN-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide
SMILESCc1cc(F)ccc1NC(=O)CNCCCC1CCOC1
InChIInChI=1S/C16H23FN2O2/c1-12-9-14(17)4-5-15(12)19-16(20)10-18-7-2-3-13-6-8-21-11-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,20)
InChIKeyAUXXARODENQNMJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.48
Rot. Bonds7

About N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide

N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide (PubChem CID 50958987) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide
PubChem CID50958987
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide
SMILESCc1cc(F)ccc1NC(=O)CNCCCC1CCOC1
InChIInChI=1S/C16H23FN2O2/c1-12-9-14(17)4-5-15(12)19-16(20)10-18-7-2-3-13-6-8-21-11-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,20)
InChIKeyAUXXARODENQNMJ-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
2-[1-(4-fluorophenyl)ethylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 4878604
2-(ethylamino)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 2410077
o-Propionotoluidide, 2-(2-methoxyethylamino)-
CID 3051083
o-Propionotoluidide, 2-(2-ethoxyethylamino)-
CID 3051084
Propionanilide, 2-(2-ethoxyethylamino)-2'-ethyl-
CID 3051086
N-(2-methylphenyl)-2-(propylamino)acetamide
CID 412529
N-(2-methylphenyl)-2-pyrrolidinylacetamide
CID 413836
2-(methylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2114003
N1-(2-ethylphenyl)-N2-(4-fluorobenzyl)oxalamide
CID 2272090

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide (CID 50958987) is N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide is Cc1cc(F)ccc1NC(=O)CNCCCC1CCOC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide?
The InChIKey is AUXXARODENQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-9-14(17)4-5-15(12)19-16(20)10-18-7-2-3-13-6-8-21-11-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide is sourced from PubChem (CID 50958987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).