(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide

C16H21FN2O3 — CID 102316335

IUPAC(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide
SMILESCC(C)(C)NC(=O)[C@H](N[C@H]1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)19-14(20)13(10-4-6-11(17)7-5-10)18-12-8-9-22-15(12)21/h4-7,12-13,18H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyQSPJKONMMWZPCD-QWHCGFSZSA-N
MW308.35 g/mol
LogP1.69
Rot. Bonds4

About (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide

(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide (PubChem CID 102316335) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide
PubChem CID102316335
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide
SMILESCC(C)(C)NC(=O)[C@H](N[C@H]1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)19-14(20)13(10-4-6-11(17)7-5-10)18-12-8-9-22-15(12)21/h4-7,12-13,18H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyQSPJKONMMWZPCD-QWHCGFSZSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]hexanoate
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N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
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Ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 25014705
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluoromethyl)phenyl)acetamide
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Camiverine
CID 40984
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The IUPAC name of (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide (CID 102316335) is (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide is CC(C)(C)NC(=O)[C@H](N[C@H]1CCOC1=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The InChIKey is QSPJKONMMWZPCD-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,3)19-14(20)13(10-4-6-11(17)7-5-10)18-12-8-9-22-15(12)21/h4-7,12-13,18H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide?
(2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(4-fluorophenyl)-2-[[(3S)-2-oxooxolan-3-yl]amino]acetamide is sourced from PubChem (CID 102316335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).