2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide

C17H21FN2O2 — CID 51565539

IUPAC2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2/c1-12(2)17(13-5-7-14(18)8-6-13)20-11-16(21)19-10-15-4-3-9-22-15/h3-9,12,17,20H,10-11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyQVCGUUPUKLDRIL-KRWDZBQOSA-N
MW304.37 g/mol
LogP3.02
Rot. Bonds7

About 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51565539) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID51565539
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2/c1-12(2)17(13-5-7-14(18)8-6-13)20-11-16(21)19-10-15-4-3-9-22-15/h3-9,12,17,20H,10-11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyQVCGUUPUKLDRIL-KRWDZBQOSA-N
XLogP3.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 51565539) is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide is CC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QVCGUUPUKLDRIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(2)17(13-5-7-14(18)8-6-13)20-11-16(21)19-10-15-4-3-9-22-15/h3-9,12,17,20H,10-11H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51565539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).