(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide

C15H20BrNO2 — CID 51948734

IUPAC(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-15(2,11-5-7-12(16)8-6-11)10-17-14(18)13-4-3-9-19-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyXPGCJKNOUSOVCR-ZDUSSCGKSA-N
MW326.23 g/mol
LogP3.02
Rot. Bonds4

About (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide

(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide (PubChem CID 51948734) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
PubChem CID51948734
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-15(2,11-5-7-12(16)8-6-11)10-17-14(18)13-4-3-9-19-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyXPGCJKNOUSOVCR-ZDUSSCGKSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide (CID 51948734) is (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide is CC(C)(CNC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1.
What is the InChIKey of (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide?
The InChIKey is XPGCJKNOUSOVCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2,11-5-7-12(16)8-6-11)10-17-14(18)13-4-3-9-19-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide?
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide is sourced from PubChem (CID 51948734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).